(17α,20E)-21-Chloro-21-Iodo-19-Norpregna-1(10),2,4,20-Tetraene-3,17-Diol

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Formula C20H24ClIO2
IUPAC Name (8r,9s,13s,14s,17s)-17-[(e)-2-chloro-2-iodo-vinyl]-13-methyl-7,8,9,11,12,14,15,16-octahydro-6h-cyclopenta[a]phenanthrene-3,17-diol
Molecular Mass 458.761 g·mol−1
Heat of Formation -321.5 ± 16.7 kJ·mol−1
Dipole Moment 1.01 ± 1.08 D
Volume 436.54 Å 3
Surface Area 358.22 Å 2
HOMO Energy -8.83 ± 0.55 eV
LUMO Energy -0.20 ± eV
Point Group Symmetry C1
InChIKey LUOIZCAYCTUDPW-XADQJEKLSA-N
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