1-(3,5-Bis(Trifluoromethyl)Phenyl)-3-(4-Bromo-2-(1H-Tetrazol-5-Yl)Phenyl)Thiourea
Properties
| Property | Value |
|---|---|
| Formula | C16H9BrF6N6S |
| IUPAC Name | 1-[3,5-bis(trifluoromethyl)phenyl]-3-[4-bromo-2-(2h-tetrazol-5-yl)phenyl]thiourea |
| Molecular Mass | 511.242 g·mol−1 |
| Heat of Formation | -687.8 ± 16.7 kJ·mol−1 |
| Dipole Moment | 7.42 ± 1.08 D |
| Volume | 463.05 Å 3 |
| Surface Area | 405.07 Å 2 |
| HOMO Energy | -8.91 ± 0.55 eV |
| LUMO Energy | 1.24 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | MDKAFDIKYQMOMF-UHFFFAOYSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | C F H N S Br |