S-[2-(Propanoylamino)Ethyl] (2S)-2-[(8S,9S,10R,13S,14S,17R)-10,13-Dimethyl-3-Oxo-6,7,8,9,11,12,14,15,16,17-Decahydrocyclopenta[A]Phenanthren-17-Yl]Propanethioate

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Formula C27H39NO3S
IUPAC Name s-[2-(propanoylamino)ethyl] (2s)-2-[(8s,9s,10r,13s,14s,17r)-10,13-dimethyl-3-oxo-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]propanethioate
Molecular Mass 457.668 g·mol−1
Heat of Formation -622.5 ± 16.7 kJ·mol−1
Dipole Moment 3.26 ± 1.08 D
Volume 581.03 Å 3
Surface Area 465.9 Å 2
HOMO Energy -9.27 ± 0.55 eV
LUMO Energy -0.86 ± eV
Point Group Symmetry C1
InChIKey NPTBAEOEUMZYQL-CTKPXJAYSA-N
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