(5β,6β)-17-Methyl-6-[(5-Nitro-2-Pyridinyl)Disulfanyl]-4,5-Epoxymorphinan-3-Ol

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Formula C22H24N3O4S2
IUPAC Name (3r,4r,4ar,7r,7as,12bs)-3-methyl-7-[(5-nitropyridin-1-ium-5-id-2-yl)disulfanyl]-2,4,4a,5,6,7,7a,13-octahydro-1h-4,12-methanobenzofuro[3,2-e]isoquinoline-9-ol
Molecular Mass 458.574 g·mol−1
Heat of Formation 52.9 ± 16.7 kJ·mol−1
Dipole Moment 6.15 ± 1.08 D
Volume 500.7 Å 3
Surface Area 407.86 Å 2
HOMO Energy -8.85 ± 0.55 eV
LUMO Energy 1.27 ± eV
Point Group Symmetry C1
InChIKey RAEKUJQUZFRYFZ-RDZNZOMASA-N
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