N'-[(1S,2S)-1-[(2R)-4-Benzoyl-2-Piperazinyl]-3-(3,5-Difluorophenyl)-1-Hydroxy-2-Propanyl]-5-Methyl-N,N-Dipropylisophthalamide

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Properties Simple | Detailed

Formula C35H42F2N4O4
IUPAC Name n3-[(1s,2s)-2-[(2r)-4-benzoylpiperazin-2-yl]-1-[(3,5-difluorophenyl)methyl]-2-hydroxy-ethyl]-5-methyl-n1,n1-dipropyl-benzene-1,3-dicarboxamide
Molecular Mass 620.729 g·mol−1
Heat of Formation -988.4 ± 16.7 kJ·mol−1
Dipole Moment 6.03 ± 1.08 D
Volume 772.98 Å 3
Surface Area 578.62 Å 2
HOMO Energy -9.06 ± 0.55 eV
LUMO Energy 2.52 ± eV
Point Group Symmetry C1
InChIKey ZJLWDMHHAMNWRK-QAXCHELISA-N
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Elements H C N O F