2-Methyl-1-(4-{2-[1-(2,2,2-Trifluoroethyl)-1H-1,2,4-Triazol-5-Yl]-4,5-Dihydro[1]Benzoxepino[5,4-D][1,3]Thiazol-8-Yl}-1H-Pyrazol-1-Yl)-2-Propanol
Properties
| Property | Value |
|---|---|
| Formula | C22H21F3N6O2S |
| IUPAC Name | 2-methyl-1-[4-[2-[2-(2,2,2-trifluoroethyl)-1-aza-2-azonia-4-azanidacyclopenta-2,5-dien-3-yl]-4,5-dihydro-[1]benzoxepino[5,4-d]thiazol-8-yl]-3h-pyrazol-2-ium-3-ylium-2-yl]propan-2-ol |
| Molecular Mass | 490.501 g·mol−1 |
| Heat of Formation | -416.6 ± 16.7 kJ·mol−1 |
| Dipole Moment | 7.43 ± 1.08 D |
| Volume | 535.34 Å 3 |
| Surface Area | 449.39 Å 2 |
| HOMO Energy | -8.60 ± 0.55 eV |
| LUMO Energy | 1.63 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | VRJUJTMBOARYOG-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 O N S |