(17β)-17-[(4-Nitrophenyl)Disulfanyl]Estra-1,3,5(10)-Trien-3-Ol

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Formula C24H27NO3S2
IUPAC Name (8r,9s,13s,14s,17s)-13-methyl-17-[(4-nitrophenyl)disulfanyl]-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-ol
Molecular Mass 441.606 g·mol−1
Heat of Formation -123.8 ± 16.7 kJ·mol−1
Dipole Moment 6.19 ± 1.08 D
Volume 516.64 Å 3
Surface Area 422.92 Å 2
HOMO Energy -8.94 ± 0.55 eV
LUMO Energy 1.55 ± eV
Point Group Symmetry C1
InChIKey PYCKYYGXDFDCCB-OEYYQIPYSA-N
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