Methyl [(6S)-4-(4-Chlorophenyl)-2,3,9-Trimethyl-6H-Thieno[3,2-F][1,2,4]Triazolo[4,3-A][1,4]Diazepin-6-Yl]Acetate
Properties
| Property | Value |
|---|---|
| Formula | C20H19ClN4O2S |
| IUPAC Name | methyl 2-[(9s)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-9-yl]acetate |
| Molecular Mass | 414.908 g·mol−1 |
| Heat of Formation | 29.7 ± 16.7 kJ·mol−1 |
| Dipole Moment | 9.83 ± 1.08 D |
| Volume | 466.87 Å 3 |
| Surface Area | 372.62 Å 2 |
| HOMO Energy | -9.44 ± 0.55 eV |
| LUMO Energy | -1.74 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | GGRCIHACOIMRKY-HNNXBMFYSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | C Cl H O N S |