(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]Isoquinoline-4A-Yl]-3-(4-Nitrophenyl)Prop-2-Enamide

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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]isoquinoline-4a-yl]-3-(4-nitrophenyl)prop-2-enamide
Molecular Mass 489.520 g·mol−1
Heat of Formation -411.0 ± 16.7 kJ·mol−1
Dipole Moment 4.58 ± 1.08 D
Volume 549.64 Å 3
Surface Area 441.65 Å 2
HOMO Energy -8.79 ± 0.55 eV
LUMO Energy 1.33 ± eV
Point Group Symmetry C1
InChIKey KCZLWLWMKRHKSA-XYMPQYMJSA-N
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