(17β)-2-Ethylestra-1(10),2,4-Triene-3,17-Diyl Disulfamate

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Properties Simple | Detailed

Formula C20H30N2O6S2
IUPAC Name [(8r,9s,13s,14s,17s)-2-ethyl-13-methyl-3-sulfamoyloxy-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] sulfamate
Molecular Mass 458.592 g·mol−1
Heat of Formation -1093.5 ± 16.7 kJ·mol−1
Dipole Moment 4.52 ± 1.08 D
Volume 513.8 Å 3
Surface Area 423.37 Å 2
HOMO Energy -8.96 ± 0.55 eV
LUMO Energy 2.80 ± eV
Point Group Symmetry C1
InChIKey LDOGEZTUWBORPG-SSGANFLRSA-N
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