N-Oxo-3-{1-[(Phenylsulfanyl)Methyl]-2,3-Dihydro-1H-1,2,3-Triazol-4-Yl}Benzamide
Properties
| Property | Value |
|---|---|
| Formula | C16H14N4O2S |
| IUPAC Name | n-oxo-3-[(3s)-3-(phenylsulfanylmethyl)-1,2-dihydrotriazol-5-yl]benzamide |
| Molecular Mass | 326.373 g·mol−1 |
| Heat of Formation | 438.0 ± 16.7 kJ·mol−1 |
| Dipole Moment | 1.48 ± 1.08 D |
| Volume | 373.71 Å 3 |
| Surface Area | 296.04 Å 2 |
| HOMO Energy | -8.45 ± 0.55 eV |
| LUMO Energy | -1.27 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | YMCCQRYCIRCIGS-UHFFFAOYSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H S C O N |