(2E)-3-(4-Chlorophenyl)-N-[(5α)-17-(Cyclopropylmethyl)-3-Hydroxy-6-Oxo-4,5-Epoxymorphinan-14-Yl]Acrylamide

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Properties Simple | Detailed

Formula C26H33ClN2O4
IUPAC Name (e)-n-[(4r,4as,7ar,12br)-3-(cyclopropylmethyl)-9-hydroxy-7-oxo-2,4,5,6,7a,13-hexahydro-1h-4,12-methanobenzofuro[3,2-e]isoquinoline-4a-yl]-3-(4-chlorophenyl)prop-2-enamide
Molecular Mass 473.004 g·mol−1
Heat of Formation -324.1 ± 16.7 kJ·mol−1
Dipole Moment 4.43 ± 1.08 D
Volume 581.51 Å 3
Surface Area 469.4 Å 2
HOMO Energy -8.78 ± 0.55 eV
LUMO Energy 2.04 ± eV
Point Group Symmetry C1
InChIKey RAURUSFBVQLAPW-DNIKMYEQSA-N
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Elements H C N O Cl