(±)-1-Sec-Butyl-4-[P-[4-[P-[[(2R*,4S*)-2-(2,4-Difluorophenyl)-2-(1H-1,2,4-Triazol-1-Ylmethyl)-1,3-Dioxolan-4-Yl]Methoxy]Phenyl]-1-Piperazinyl]Phenyl]-D2 -1,2,4-Triazolin-5-One

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Properties Simple | Detailed

Formula C35H38F2N8O4
IUPAC Name 2-butan-2-yl-4-[4-[4-[4-[[(2s,4r)-2-(2,4-difluorophenyl)-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-1,2,4-triazol-3-one
Molecular Mass 672.724 g·mol−1
Heat of Formation -356.2 ± 16.7 kJ·mol−1
Dipole Moment 5.66 ± 1.08 D
Volume 777.73 Å 3
Surface Area 639.34 Å 2
HOMO Energy -8.25 ± 0.55 eV
LUMO Energy 2.37 ± eV
Point Group Symmetry C1
InChIKey HUADITLKOCMHSB-DKYCYSLVSA-N
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