(17α)-2,4-Dibromo-19-Norpregna-1(10),2,4-Trien-20-Yne-3,17-Diol

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Formula C20H22Br2O2
IUPAC Name (8s,9s,13s,14r,17r)-2,4-dibromo-17-ethynyl-13-methyl-7,8,9,11,12,14,15,16-octahydro-6h-cyclopenta[a]phenanthrene-3,17-diol
Molecular Mass 454.195 g·mol−1
Heat of Formation -137.3 ± 16.7 kJ·mol−1
Dipole Moment 3.32 ± 1.08 D
Volume 403.95 Å 3
Surface Area 333.27 Å 2
HOMO Energy -9.10 ± 0.55 eV
LUMO Energy 2.55 ± eV
Point Group Symmetry C1
InChIKey TVZPJONPQWRVQV-DMMQUMGSSA-N
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Elements H C O Br