4-[(1E,3E)-4-(5-{[(2R,3R)-3-(2,4-Difluorophenyl)-3-Hydroxy-4-(1H-1,2,4-Triazol-1-Yl)-2-Butanyl]Sulfanyl}-1,3-Dioxan-2-Yl)-1,3-Butadien-1-Yl]-3-Fluorobenzonitrile
Properties
| Property | Value |
|---|---|
| Formula | C27H25F3N4O3S |
| IUPAC Name | 4-[(1e,3e)-4-[5-[(2r,3r)-3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]sulfanyl-1,3-dioxan-2-yl]buta-1,3-dienyl]-3-fluorobenzonitrile |
| Molecular Mass | 542.573 g·mol−1 |
| Heat of Formation | -471.0 ± 16.7 kJ·mol−1 |
| Dipole Moment | 8.27 ± 1.08 D |
| Volume | 606.84 Å 3 |
| Surface Area | 514.25 Å 2 |
| HOMO Energy | -8.91 ± 0.55 eV |
| LUMO Energy | 1.76 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | XSRKBFUVSRRJDX-SCTWHMOOSA-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 |