(2R,3S)-2-(2,4-Difluorophenyl)-3-(Methylsulfonyl)-1-(1H-1,2,4-Triazol-1-Yl)-2-Butanol

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Properties Simple | Detailed

Formula C13H15F2N3O3S
IUPAC Name (2s,3r)-1-(4-aza-1-azonia-2-azanidacyclopenta-3,5-dien-1-yl)-2-(2,4-difluorophenyl)-3-methylsulfonyl-butan-2-ol
Molecular Mass 331.338 g·mol−1
Heat of Formation -659.4 ± 16.7 kJ·mol−1
Dipole Moment 8.98 ± 1.08 D
Volume 354.83 Å 3
Surface Area 285.4 Å 2
HOMO Energy -9.88 ± 0.55 eV
LUMO Energy -0.35 ± eV
Point Group Symmetry C1
InChIKey HFGZFHCWKKQGIS-RNCFNFMXSA-N
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