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

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Properties Simple | Detailed

Formula C34H42F2N4O5S
IUPAC Name n3-[(1s,2s)-2-[(2r,4s)-4-(benzenesulfonyl)piperazin-2-yl]-1-[(3,5-difluorophenyl)methyl]-2-hydroxy-ethyl]-5-methyl-n1,n1-dipropyl-benzene-1,3-dicarboxamide
Molecular Mass 656.783 g·mol−1
Heat of Formation -1119.8 ± 16.7 kJ·mol−1
Dipole Moment 3.32 ± 1.08 D
Volume 806.08 Å 3
Surface Area 617.38 Å 2
HOMO Energy -9.12 ± 0.55 eV
LUMO Energy -0.69 ± eV
Point Group Symmetry C1
InChIKey KDRUCCZCGHVXGH-QAXCHELISA-N
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