3,11,17-Trioxoandrostane-5-Carbonitrile

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Formula C20H25NO3
IUPAC Name (5s,8s,9s,10r,13s,14s)-10,13-dimethyl-3,11,17-trioxo-2,4,6,7,8,9,12,14,15,16-decahydro-1h-cyclopenta[a]phenanthrene-5-carbonitrile
Molecular Mass 327.417 g·mol−1
Heat of Formation -514.6 ± 16.7 kJ·mol−1
Dipole Moment 6.40 ± 1.08 D
Volume 400.68 Å 3
Surface Area 310.45 Å 2
HOMO Energy -10.04 ± 0.55 eV
LUMO Energy 0.37 ± eV
Point Group Symmetry C1
InChIKey KTCCSAJITZHMGX-WAXGZZNISA-N
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