N-(2-thienylmethyl)-2,5-thiophenedisulfonamide (TPD) Summary
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- N-(2-thienylmethyl)-2,5-thiophenedisulfonamide (TPD) Summary
- Dihedrals
Dihedrals Table
| Dih. | Atom names | Experimental | Type |
|---|---|---|---|
| 1 | C3.1-C4.11-C5.12-C6.1312-11-10-0 C3.13-C4.12-C5.11-C6.1 | -0.108 | Rigid Ring |
| 2 | C3.1-S2.14-C6.13-C5.1211-12-13-0 C3.12-S2.13-C6.14-C5.1 | 0.119 | Rigid Ring |
| 3 | C3.1-S2.14-C6.13-S7.1514-12-13-0 C3.15-S2.13-C6.14-S7.1 | 179.829 | Rigid |
| 4 | C9.2-C10.3-C11.4-C12.54-3-2-1 C9.5-C10.4-C11.3-C12.2 | 176.851 | Rigid |
| 5 | C9.2-C10.3-S14.19-C13.65-18-2-1 C9.6-C10.19-S14.3-C13.2 | -176.954 | Rigid |
| 6 | C9.2-N8.18-S7.15-C6.1312-14-17-1 C9.13-N8.15-S7.18-C6.2 | 72.497 | Flexible |
| 7 | C9.2-N8.18-S7.15-O3B.1615-14-17-1 C9.16-N8.15-S7.18-O3B.2 | -46.93 | Flexible |
| 8 | C9.2-N8.18-S7.15-O4B.1716-14-17-1 C9.17-N8.15-S7.18-O4B.2 | -169.753 | Flexible |
| 9 | C10.3-C9.2-N8.18-S7.1514-17-1-2 C10.15-C9.18-N8.2-S7.3 | 143.203 | Flexible |
| 10 | C10.3-C11.4-C12.5-C13.65-4-3-2 C10.6-C11.5-C12.4-C13.3 | 0.378 | Rigid Ring |
| 11 | C10.3-S14.19-C13.6-C12.54-5-18-2 C10.5-S14.6-C13.19-C12.3 | -0.261 | Rigid Ring |
| 12 | C11.4-C10.3-C9.2-N8.1817-1-2-3 C11.18-C10.2-C9.3-N8.4 | -91.36 | Flexible |
| 13 | C11.4-C10.3-S14.19-C13.65-18-2-3 C11.6-C10.19-S14.3-C13.4 | 0.482 | Rigid Ring |
| 14 | C11.4-C12.5-C13.6-S14.1918-5-4-3 C11.19-C12.6-C13.5-S14.4 | -0.015 | Rigid Ring |
| 15 | C12.5-C11.4-C10.3-S14.1918-2-3-4 C12.19-C11.3-C10.4-S14.5 | -0.579 | Rigid Ring |
| 16 | S1.10-C3.1-C4.11-C5.1211-10-0-9 S1.12-C3.11-C4.1-C5.10 | -178.429 | Rigid |
| 17 | S1.10-C3.1-S2.14-C6.1312-13-0-9 S1.13-C3.14-S2.1-C6.10 | 178.505 | Rigid |
| 18 | C4.11-C3.1-S1.10-O1A.76-9-0-10 C4.7-C3.10-S1.1-O1A.11 | 86.588 | Flexible |
| 19 | C4.11-C3.1-S1.10-O2A.87-9-0-10 C4.8-C3.10-S1.1-O2A.11 | -157.548 | Flexible |
| 20 | C4.11-C3.1-S1.10-N21.98-9-0-10 C4.9-C3.10-S1.1-N21.11 | -35.39 | Flexible |
| 21 | C4.11-C3.1-S2.14-C6.1312-13-0-10 C4.13-C3.14-S2.1-C6.11 | -0.184 | Rigid Ring |
| 22 | C4.11-C5.12-C6.13-S2.1413-12-11-10 C4.14-C5.13-C6.12-S2.11 | -0.03 | Rigid Ring |
| 23 | C4.11-C5.12-C6.13-S7.1514-12-11-10 C4.15-C5.13-C6.12-S7.11 | -179.711 | Rigid |
| 24 | C5.12-C6.13-S7.15-O3B.1615-14-12-11 C5.16-C6.15-S7.13-O3B.12 | 62.025 | Flexible |
| 25 | C5.12-C6.13-S7.15-O4B.1716-14-12-11 C5.17-C6.15-S7.13-O4B.12 | -179.479 | Flexible |
| 26 | C5.12-C6.13-S7.15-N8.1817-14-12-11 C5.18-C6.15-S7.13-N8.12 | -61.452 | Flexible |
| 27 | S2.14-C3.1-S1.10-O1A.76-9-0-13 S2.7-C3.10-S1.1-O1A.14 | -91.934 | Flexible |
| 28 | S2.14-C3.1-S1.10-O2A.87-9-0-13 S2.8-C3.10-S1.1-O2A.14 | 23.93 | Flexible |
| 29 | S2.14-C3.1-S1.10-N21.98-9-0-13 S2.9-C3.10-S1.1-N21.14 | 146.088 | Flexible |
| 30 | S2.14-C3.1-C4.11-C5.1211-10-0-13 S2.12-C3.11-C4.1-C5.14 | 0.2 | Rigid Ring |
| 31 | S2.14-C6.13-S7.15-O3B.1615-14-12-13 S2.16-C6.15-S7.13-O3B.14 | -117.633 | Flexible |
| 32 | S2.14-C6.13-S7.15-O4B.1716-14-12-13 S2.17-C6.15-S7.13-O4B.14 | 0.862 | Flexible |
| 33 | S2.14-C6.13-S7.15-N8.1817-14-12-13 S2.18-C6.15-S7.13-N8.14 | 118.89 | Flexible |
| 34 | N8.18-C9.2-C10.3-S14.1918-2-1-17 N8.19-C9.3-C10.2-S14.18 | 85.815 | Flexible |
Dihedrals Histogram