(8Xi,9Xi,13Xi,14Xi)-17-Oxoestra-1,3,5(10)-Triene-3-Sulfonyl Chloride

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Formula C18H21ClO3S
IUPAC Name (8s,9s,13s,14r)-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6h-cyclopenta[a]phenanthrene-3-sulfonyl chloride
Molecular Mass 352.876 g·mol−1
Heat of Formation -562.6 ± 16.7 kJ·mol−1
Dipole Moment 5.57 ± 1.08 D
Volume 395.87 Å 3
Surface Area 329.68 Å 2
HOMO Energy -10.03 ± 0.55 eV
LUMO Energy 1.96 ± eV
Point Group Symmetry C1
InChIKey ASDYGQBNTJDQGH-HPFXQQBRSA-N
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Elements H S C O Cl