2,6-Dimethyl-8-[(2-Pyridinylsulfanyl)Methyl]-9,10-Didehydroergoline
Properties
| Property | Value |
|---|---|
| Formula | C22H23N3S |
| IUPAC Name | (6as,9r)-5,7-dimethyl-9-(2-pyridylsulfanylmethyl)-6,6a,8,9-tetrahydro-4h-indolo[4,3-fg]quinoline |
| Molecular Mass | 361.503 g·mol−1 |
| Heat of Formation | 351.7 ± 16.7 kJ·mol−1 |
| Dipole Moment | 2.40 ± 1.08 D |
| Volume | 432.76 Å 3 |
| Surface Area | 377.99 Å 2 |
| HOMO Energy | -8.10 ± 0.55 eV |
| LUMO Energy | 2.78 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | AAEVRVUBTVMVMV-QRWLVFNGSA-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 |