3-(Azepan-1-Yl)-9-(Dimethylamino)Benzothiopheno[3,2-D]Pyrimidin-1-Ium-4A-Id-4-One
Properties
| Property | Value |
|---|---|
| Formula | C18H22N4OS |
| IUPAC Name | 3-(azepan-1-yl)-9-(dimethylamino)benzothiopheno[3,2-d]pyrimidin-1-ium-4a-id-4-one |
| Molecular Mass | 342.458 g·mol−1 |
| Heat of Formation | 151.3 ± 16.7 kJ·mol−1 |
| Dipole Moment | 4.79 ± 1.08 D |
| Volume | 405.19 Å 3 |
| Surface Area | 345.47 Å 2 |
| HOMO Energy | -8.15 ± 0.55 eV |
| LUMO Energy | -1.08 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | YDOLIIFLXBSJOL-UHFFFAOYSA-N |
| QR Code | Generate QR Code |
| Links | PubChem |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H S C O N |