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

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Formula C27H27N3O6
IUPAC Name (e)-n-[(3s,4r,4as,7ar,12br)-9-hydroxy-3,7a-dimethyl-7-oxo-1,2,4,5,6,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-4a-yl]-3-(4-nitrophenyl)prop-2-enamide
Molecular Mass 489.520 g·mol−1
Heat of Formation -410.5 ± 16.7 kJ·mol−1
Dipole Moment 4.73 ± 1.08 D
Volume 552.36 Å 3
Surface Area 443.58 Å 2
HOMO Energy -8.79 ± 0.55 eV
LUMO Energy 1.31 ± eV
Point Group Symmetry C1
Synonyms
  • 2-propenamide, n-((5alpha)-4,5-epoxy-3-hydroxy-5,17-dimethyl-6-oxomorphinan-14-yl)-3-(4-nitrophenyl)-
  • 5-methyl-14-(4-nitrocinnamoylamino)-7,8-dihydromorphinone
  • 5beta-methyl-14beta-(p-nitrocinnamoylamino)-7,8-dihydromorphinone
CAS Number(s)
  • 148717-84-4
InChIKey CEBCASROENGJPG-XYMPQYMJSA-N
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