Tiomergine
Properties
| Property | Value |
|---|---|
| Formula | C21H21N3S |
| IUPAC Name | (6as,7s,9r)-7-methyl-9-(2-pyridylsulfanylmethyl)-6,6a,8,9-tetrahydroindolo[4,3-fg]quinoline-4-ium |
| Molecular Mass | 347.477 g·mol−1 |
| Heat of Formation | 398.6 ± 16.7 kJ·mol−1 |
| Dipole Moment | 1.74 ± 1.08 D |
| Volume | 411.04 Å 3 |
| Surface Area | 361.34 Å 2 |
| HOMO Energy | -8.18 ± 0.55 eV |
| LUMO Energy | -0.25 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | VCRAKEDGLIINLR-KUHUBIRLSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H S C N |