Navitoclax

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Formula C47H55ClF3N5O6S3
IUPAC Name 4-[4-[[2-(4-chlorophenyl)-5,5-dimethyl-cyclohexen-1-yl]methyl]piperazin-1-yl]-n-[4-[[(1r)-3-morpholino-1-(phenylsulfanylmethyl)propyl]amino]-3-(trifluoromethylsulfonyl)phenyl]sulfonyl-benzamide
Molecular Mass 974.613 g·mol−1
Heat of Formation -1407.9 ± 16.7 kJ·mol−1
Dipole Moment 10.26 ± 1.08 D
Volume 1100.59 Å 3
Surface Area 707.02 Å 2
HOMO Energy -8.21 ± 0.55 eV
LUMO Energy -0.60 ± eV
Point Group Symmetry C1
InChIKey JLYAXFNOILIKPP-KXQOOQHDSA-N
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