2-(2,4-Difluorophenyl)-3-Methyl-1-(1H-1,2,4-Triazol-1-Yl)-3-(6-(1H-1,2,4-Triazol-1-Yl)Pyridazin-3-Ylthio)Butan-2-Ol
Properties
| Property | Value |
|---|---|
| Formula | C19H18F2N8OS |
| IUPAC Name | (2s)-2-(2,4-difluorophenyl)-3-methyl-1-(1,2,4-triazol-1-yl)-3-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]sulfanyl-butan-2-ol |
| Molecular Mass | 444.461 g·mol−1 |
| Heat of Formation | 190.4 ± 16.7 kJ·mol−1 |
| Dipole Moment | 6.19 ± 1.08 D |
| Volume | 481.96 Å 3 |
| Surface Area | 396.23 Å 2 |
| HOMO Energy | -9.13 ± 0.55 eV |
| LUMO Energy | -1.81 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | ICRBJWBMXZYUGP-LJQANCHMSA-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 |