N-[(1S,2S)-3-(3,5-Difluorophenyl)-1-Hydroxy-1-{(2R)-4-[(3-Methylphenyl)Sulfonyl]-2-Piperazinyl}-2-Propanyl]-3-{[(2R)-2-(Methoxymethyl)-1-Pyrrolidinyl]Carbonyl}-5-Methylbenzamide

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Properties Simple | Detailed

Formula C35H42F2N4O6S
IUPAC Name n-[(1s,2s)-1-[(3,5-difluorophenyl)methyl]-2-hydroxy-2-[(2r,4s)-4-(m-tolylsulfonyl)piperazin-2-yl]ethyl]-3-[(2r)-2-(methoxymethyl)pyrrolidine-1-carbonyl]-5-methyl-benzamide
Molecular Mass 684.793 g·mol−1
Heat of Formation -1244.1 ± 16.7 kJ·mol−1
Dipole Moment 3.79 ± 1.08 D
Volume 817.3 Å 3
Surface Area 614.23 Å 2
HOMO Energy -9.07 ± 0.55 eV
LUMO Energy 2.34 ± eV
Point Group Symmetry C1
InChIKey CQQMWBPWYUPVOC-PPESYSCFSA-N
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