17-Hydroxyestra-1(10),2,4-Trien-3-Yl Bis(2-Chloroethyl)Carbamate

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Properties Simple | Detailed

Formula C23H31Cl2NO3
IUPAC Name [(8r,9r,13s,14r,17r)-17-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl] n,n-bis(2-chloroethyl)carbamate
Molecular Mass 440.403 g·mol−1
Heat of Formation -690.2 ± 16.7 kJ·mol−1
Dipole Moment 3.46 ± 1.08 D
Volume 514.85 Å 3
Surface Area 417.38 Å 2
HOMO Energy -9.25 ± 0.55 eV
LUMO Energy -0.13 ± eV
Point Group Symmetry C1
InChIKey FRPJXPJMRWBBIH-IIDPUWFRSA-N
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Elements H C N O Cl