2-Methoxy-21-Nitrilo-19-Norpregna-1(10),2,4-Trien-3-Yl Sulfamate

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Formula C21H28N2O4S
IUPAC Name [(8s,9s,13r,14s,17r)-17-(cyanomethyl)-2-methoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl] sulfamate
Molecular Mass 404.523 g·mol−1
Heat of Formation -580.3 ± 16.7 kJ·mol−1
Dipole Moment 2.41 ± 1.08 D
Volume 479.33 Å 3
Surface Area 395.58 Å 2
HOMO Energy -8.70 ± 0.55 eV
LUMO Energy 2.73 ± eV
Point Group Symmetry C1
InChIKey NTSPHKOMJMBWOU-NNKXXINSSA-N
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