(5α,8Xi,9Xi,14Xi,17Beta)-3-Oxoandrostan-17-Yl N-[(2-Chloroethyl)(Nitroso)Carbamoyl]-L-Alaninate

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Formula C25H38ClN3O5
IUPAC Name [(5s,8r,9s,10s,13s,14r,17s)-10,13-dimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl] (2s)-2-[[2-chloroethyl(nitroso)carbamoyl]amino]propanoate
Molecular Mass 496.039 g·mol−1
Heat of Formation -974.9 ± 16.7 kJ·mol−1
Dipole Moment 1.05 ± 1.08 D
Volume 591.75 Å 3
Surface Area 454.23 Å 2
HOMO Energy -9.90 ± 0.55 eV
LUMO Energy -0.17 ± eV
Point Group Symmetry C1
InChIKey GDTZJGVPYNOPMX-NEAMUAECSA-N
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Elements H C N O Cl