(8β)-6-Methyl-8-[(Methylsulfanyl)Methyl]Ergoline
Properties
| Property | Value |
|---|---|
| Formula | C17H22N2S |
| IUPAC Name | (6ar,9r,10ar)-7-methyl-9-(methylsulfanylmethyl)-6,6a,8,9,10,10a-hexahydro-4h-indolo[4,3-fg]quinoline |
| Molecular Mass | 286.435 g·mol−1 |
| Heat of Formation | 158.8 ± 16.7 kJ·mol−1 |
| Dipole Moment | 3.36 ± 1.08 D |
| Volume | 355.76 Å 3 |
| Surface Area | 310.54 Å 2 |
| HOMO Energy | -8.27 ± 0.55 eV |
| LUMO Energy | 0.10 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | HEZLHSNBFOCKCQ-DJSGYFEHSA-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 |