1-[6-(2-Chlorophenyl)-9-Methyl-6H-Thieno[3,2-F][1,2,4]Triazolo[4,3-A][1,4]Diazepin-2-Yl]Ethanol
Properties
| Property | Value |
|---|---|
| Formula | C17H15ClN4OS |
| IUPAC Name | (1s)-1-[(9s)-9-(2-chlorophenyl)-13-methyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-4-yl]ethanol |
| Molecular Mass | 358.845 g·mol−1 |
| Heat of Formation | 268.9 ± 16.7 kJ·mol−1 |
| Dipole Moment | 6.07 ± 1.08 D |
| Volume | 389.16 Å 3 |
| Surface Area | 337.5 Å 2 |
| HOMO Energy | -9.43 ± 0.55 eV |
| LUMO Energy | -1.56 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | BTGCWXDWJAGZML-PSLIRLAXSA-N |
| QR Code | Generate QR Code |
| Links | ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | C Cl H O N S |