2-(1-Isopropyl-1H-1,2,4-Triazol-5-Yl)-4,5-Dihydrothieno[3,2-D][1]Benzoxepine-8-Carboxamide
Properties
| Property | Value |
|---|---|
| Formula | C18H18N4O2S |
| IUPAC Name | 2-(2-isopropyl-1,2,4-triazol-3-yl)-4,5-dihydrothieno[3,2-d][1]benzoxepine-8-carboxamide |
| Molecular Mass | 354.426 g·mol−1 |
| Heat of Formation | 30.7 ± 16.7 kJ·mol−1 |
| Dipole Moment | 9.28 ± 1.08 D |
| Volume | 407.02 Å 3 |
| Surface Area | 358.78 Å 2 |
| HOMO Energy | -9.05 ± 0.55 eV |
| LUMO Energy | 1.76 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | DJWGTNCIAUYYCQ-UHFFFAOYSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C S O N |