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

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Properties Simple | Detailed

Formula C23H29Cl2NO3
IUPAC Name [(8s,9s,13s,14r)-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6h-cyclopenta[a]phenanthren-3-yl] n,n-bis(2-chloroethyl)carbamate
Molecular Mass 438.387 g·mol−1
Heat of Formation -670.5 ± 16.7 kJ·mol−1
Dipole Moment 2.58 ± 1.08 D
Volume 512.56 Å 3
Surface Area 421.49 Å 2
HOMO Energy -9.26 ± 0.55 eV
LUMO Energy 2.95 ± eV
Point Group Symmetry C1
InChIKey AXWYROHIFVWHMR-AWWSKVOZSA-N
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Elements H C N O Cl