4-(4-Chlorophenyl)-1,3-Dimethyl-2,4-Dihydro-1H-Pyrazolo[3,4-E][1,4]Thiazepin-7(6H)-One
Properties
| Property | Value |
|---|---|
| Formula | C14H14ClN3OS |
| IUPAC Name | (4s)-4-(4-chlorophenyl)-1,3-dimethyl-4h-pyrazolo[3,4-e][1,4]thiazepine-1,2-diium-7-one |
| Molecular Mass | 307.798 g·mol−1 |
| Heat of Formation | 127.4 ± 16.7 kJ·mol−1 |
| Dipole Moment | 5.19 ± 1.08 D |
| Volume | 340.11 Å 3 |
| Surface Area | 296.61 Å 2 |
| HOMO Energy | -8.83 ± 0.55 eV |
| LUMO Energy | -0.74 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | QGSKRXDVFXTWKU-ZDUSSCGKSA-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 |