3-Chloro-2'-Cyano-5'-(1H-1,2,4-Triazol-1-Ylmethyl)-4-Biphenylyl Sulfamate
Properties
| Property | Value |
|---|---|
| Formula | C16H12ClN5O3S |
| IUPAC Name | [2-chloro-4-[2-cyano-5-(1,2,4-triazol-1-ylmethyl)phenyl]phenyl] sulfamate |
| Molecular Mass | 389.816 g·mol−1 |
| Heat of Formation | 28.9 ± 16.7 kJ·mol−1 |
| Dipole Moment | 6.46 ± 1.08 D |
| Volume | 421.78 Å 3 |
| Surface Area | 359.64 Å 2 |
| HOMO Energy | -9.81 ± 0.55 eV |
| LUMO Energy | -1.41 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | ZUTFDMVDCHXOFA-UHFFFAOYSA-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 |