5-{[(2S,3R)-2-{(1S)-1-[3,5-Bis(Trifluoromethyl)Phenyl]Ethoxy}-3-(4-Fluorophenyl)-4-Morpholinyl]Methyl}-1,2-Dihydro-3H-1,2,4-Triazol-3-One

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Formula C23H21F7N4O3
IUPAC Name 5-[[(2s,3r)-2-[(1s)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)morpholin-4-yl]methyl]-1,2-dihydro-1,2,4-triazol-3-one
Molecular Mass 534.427 g·mol−1
Heat of Formation -1638.9 ± 16.7 kJ·mol−1
Dipole Moment 9.15 ± 1.08 D
Volume 563.36 Å 3
Surface Area 425.51 Å 2
HOMO Energy -9.61 ± 0.55 eV
LUMO Energy 1.79 ± eV
Point Group Symmetry C1
InChIKey ATALOFNDEOCMKK-KNMUDHKVSA-N
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Elements H C N O F