(8β)-8-[(Methylsulfinyl)Methyl]-6-Propylergoline
Properties
| Property | Value |
|---|---|
| Formula | C19H26N2OS |
| IUPAC Name | (6ar,7s,9r,10as)-9-[[(r)-methylsulfinyl]methyl]-7-propyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-4-ium |
| Molecular Mass | 330.488 g·mol−1 |
| Heat of Formation | -21.7 ± 16.7 kJ·mol−1 |
| Dipole Moment | 5.27 ± 1.08 D |
| Volume | 409.53 Å 3 |
| Surface Area | 346.43 Å 2 |
| HOMO Energy | -8.38 ± 0.55 eV |
| LUMO Energy | -0.05 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | WOIHSNDTPKFAJW-APQAJVFDSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H S C O N |