(7α)-21-[2-(Diethylamino)Ethoxy]-7-Methyl-19-Norpregna-1(10),2,4-Trien-3-Yl Sulfamate

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Formula C26H18N2O4S
IUPAC Name [(7r,8s,9s,13r,14s,17r)-17-[2-(2-diethylaminoethoxy)ethyl]-7,13-dimethyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl] sulfamate
Molecular Mass 454.497 g·mol−1
Heat of Formation -801.4 ± 16.7 kJ·mol−1
Dipole Moment 4.85 ± 1.08 D
Volume 628.75 Å 3
Surface Area 505.65 Å 2
HOMO Energy -8.80 ± 0.55 eV
LUMO Energy -0.50 ± eV
Point Group Symmetry C1
Synonyms
  • sulfamic acid [(7r,8s,9s,13r,14s,17r)-17-[2-(2-diethylaminoethoxy)ethyl]-7,13-dimethyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl] ester
InChIKey ASNNHMZDKNSENI-FYUXVVBBSA-N
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