6-Methyl-8-[(Methylsulfanyl)Methyl]-1,2-Didehydro-2,3-Dihydroergoline
Properties
| Property | Value |
|---|---|
| Formula | C17H22N2S |
| IUPAC Name | (5ar,6as,9s,10as)-7-methyl-9-(methylsulfanylmethyl)-6,6a,8,9,10,10a-hexahydro-5ah-indolo[4,3-fg]quinoline |
| Molecular Mass | 286.435 g·mol−1 |
| Heat of Formation | 227.6 ± 16.7 kJ·mol−1 |
| Dipole Moment | 5.52 ± 1.08 D |
| Volume | 359.39 Å 3 |
| Surface Area | 311.79 Å 2 |
| HOMO Energy | -8.51 ± 0.55 eV |
| LUMO Energy | -0.37 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | HTTWFXZXQBCZOJ-DUPGQFARSA-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 |