(2R,3R)-2-(2,4-Difluorophenyl)-3-[(Trans-2-{(1E,3E)-4-[4-(2,2,3,3-Tetrafluoropropoxy)Phenyl]-1,3-Butadien-1-Yl}-1,3-Dioxan-5-Yl)Phosphino]-1-(1H-1,2,4-Triazol-1-Yl)-2-Butanol

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Formula C29H30F6N3O4P
IUPAC Name (2r,3r)-2-(2,4-difluorophenyl)-3-[[2-[(1e,3e)-4-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]buta-1,3-dienyl]-1,3-dioxan-5-yl]phosphanyl]-1-(1,2,4-triazol-1-yl)butan-2-ol
Molecular Mass 629.530 g·mol−1
Heat of Formation -1413.5 ± 16.7 kJ·mol−1
Dipole Moment 5.85 ± 1.08 D
Volume 696.86 Å 3
Surface Area 588.93 Å 2
HOMO Energy -8.78 ± 0.55 eV
LUMO Energy 2.20 ± eV
Point Group Symmetry C1
InChIKey GEPIYSMJYAOIAG-AZNAXWRUSA-N
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Elements C F H O N P