(5α,18S)-18-[Bis(2-Chloroethyl)Amino]-6-Methoxy-17-Methyl-7,8-Didehydro-18,19-Dihydro-4,5-Epoxy-6,14-Ethenomorphinan-3-Ol

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Properties Simple | Detailed

Formula C24H30Cl2N2O3
IUPAC Name (5alpha,18s)-18-[bis(2-chloroethyl)amino]-6-methoxy-17-methyl-7,8-didehydro-18,19-dihydro-4,5-epoxy-6,14-ethenomorphinan-3-ol
Molecular Mass 465.413 g·mol−1
Heat of Formation -357.4 ± 16.7 kJ·mol−1
Dipole Moment 4.03 ± 1.08 D
Volume 521.32 Å 3
Surface Area 377.02 Å 2
HOMO Energy -8.39 ± 0.55 eV
LUMO Energy 0.10 ± eV
Point Group Symmetry C1
InChIKey YKAIJSHGJPXTDY-VXRJUCJFSA-N
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Elements H C N O Cl