(6As,8S,10As,12As)-10A,12A-Dimethyl-2-Oxooctadecahydronaphtho[2,1-F]Quinolin-8-Yl {4-[Bis(2-Chloroethyl)Amino]Phenyl}Acetate

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Formula C31H44Cl2N2O3
IUPAC Name [(4ar,4br,6as,8s,10as,10bs,12as)-10a,12a-dimethyl-2-oxo-3,4,4a,4b,5,6,6a,7,8,9,10,10b,11,12-tetradecahydro-1h-naphtho[2,1-f]quinolin-8-yl] 2-[4-[bis(2-chloroethyl)amino]phenyl]acetate
Molecular Mass 563.599 g·mol−1
Heat of Formation 4521.1 ± 16.7 kJ·mol−1
Dipole Moment 26.69 ± 1.08 D
Volume 519.49 Å 3
Surface Area 450.41 Å 2
HOMO Energy -8.31 ± 0.55 eV
LUMO Energy -3.63 ± eV
Point Group Symmetry C1
InChIKey JMZJBCNHUJOLER-NQCHNHBESA-N
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Elements C N O Cl