(2R,3R)-2-(2,4-Difluorophenyl)-3-(Methylsulfonyl)-1-(1H-1,2,4-Triazol-1-Yl)-2-Butanol
Properties
Property | Value |
---|---|
Formula | C13H15F2N3O3S |
IUPAC Name | (2r,3r)-2-(2,4-difluorophenyl)-3-methylsulfonyl-1-(1,2,4-triazol-1-yl)butan-2-ol |
Molecular Mass | 331.338 g·mol−1 |
Heat of Formation | -614.3 ± 16.7 kJ·mol−1 |
Dipole Moment | 8.31 ± 1.08 D |
Volume | 357.19 Å 3 |
Surface Area | 290.43 Å 2 |
HOMO Energy | -9.84 ± 0.55 eV |
LUMO Energy | -0.37 ± eV |
Point Group Symmetry | C1 |
Synonyms |
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InChIKey | HFGZFHCWKKQGIS-NOZJJQNGSA-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 |