(5α,6α)-2-Iodo-17-Methyl-7,8-Didehydro-4,5-Epoxymorphinan-3,6-Diol

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Formula C17H18INO3
IUPAC Name (3s,4r,4ar,7s,7ar,12bs)-10-iodo-3-methyl-2,4,4a,7,7a,13-hexahydro-1h-4,12-methanobenzofuro[3,2-e]isoquinoline-7,9-diol
Molecular Mass 411.234 g·mol−1
Heat of Formation -247.5 ± 16.7 kJ·mol−1
Dipole Moment 4.28 ± 1.08 D
Volume 368.47 Å 3
Surface Area 299.49 Å 2
HOMO Energy -8.51 ± 0.55 eV
LUMO Energy -0.29 ± eV
Point Group Symmetry C1
InChIKey KGHKWHWOWSDPGO-GLWLLPOHSA-N
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