17-(Diisopropylcarbamoyl)Estra-1,3,5(10),16-Tetraen-3-Yl Sulfamate

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Properties Simple | Detailed

Formula C25H36N2O4S
IUPAC Name [(8s,9s,13s,14s)-17-[di(propan-2-yl)carbamoyl]-13-methyl-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-3-yl] sulfamate
Molecular Mass 460.629 g·mol−1
Heat of Formation -718.9 ± 16.7 kJ·mol−1
Dipole Moment 5.44 ± 1.08 D
Volume 560.43 Å 3
Surface Area 445.66 Å 2
HOMO Energy -9.03 ± 0.55 eV
LUMO Energy -0.45 ± eV
Point Group Symmetry C1
Synonyms
  • [(8s,9s,13s,14s)-17-(diisopropylcarbamoyl)-13-methyl-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-3-yl] sulfamate
  • sulfamic acid [(8s,9s,13s,14s)-17-(diisopropylcarbamoyl)-13-methyl-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-3-yl] ester
  • sulfamic acid [(8s,9s,13s,14s)-17-[(diisopropylamino)-oxomethyl]-13-methyl-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-3-yl] ester
InChIKey OCJKMKKDAMUFAY-APDHKMKFSA-N
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