(2R)-4-[4-Fluoro-2-(Trifluoromethyl)Phenyl]-2-Methyl-1-{[3-(1H-1,2,4-Triazol-1-Yl)Phenyl]Sulfonyl}Piperazine

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Formula C20H19F4N5O2S
IUPAC Name (2r)-4-[4-fluoro-2-(trifluoromethyl)phenyl]-2-methyl-1-[3-(1,2,4-triazol-1-yl)phenyl]sulfonylpiperazine
Molecular Mass 469.456 g·mol−1
Heat of Formation -720.3 ± 16.7 kJ·mol−1
Dipole Moment 4.25 ± 1.08 D
Volume 501.53 Å 3
Surface Area 406.1 Å 2
HOMO Energy -9.39 ± 0.55 eV
LUMO Energy 1.68 ± eV
Point Group Symmetry C1
InChIKey ALJLAOVBUJZEDK-CQSZACIVSA-N
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