O-[(8Xi,9Xi,14Xi)-17-Oxoestra-1,3,5(10)-Trien-3-Yl] Hydrogen Methylphosphonothioate

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Formula C19H25O3PS
IUPAC Name (8r,9s,13s,14s)-3-[hydroxy(methyl)phosphinothioyl]oxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6h-cyclopenta[a]phenanthren-17-one
Molecular Mass 364.439 g·mol−1
Heat of Formation -784.8 ± 16.7 kJ·mol−1
Dipole Moment 5.68 ± 1.08 D
Volume 430.28 Å 3
Surface Area 359.47 Å 2
HOMO Energy -8.60 ± 0.55 eV
LUMO Energy -0.45 ± eV
Point Group Symmetry C1
InChIKey OPFKWSWJXPDBJS-WKUNYAQLSA-N
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