Morphinan-3-Ol, 6-(Acetylthio)-7,8-Didehydro-4,5-Epoxy-17-Methyl-, (5α,6Beta)-

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Formula C19H21NO3S
IUPAC Name s-[(3s,4r,4ar,7r,7ar,12bs)-9-hydroxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1h-4,12-methanobenzofuro[3,2-e]isoquinoline-7-yl] ethanethioate
Molecular Mass 343.440 g·mol−1
Heat of Formation -321.7 ± 16.7 kJ·mol−1
Dipole Moment 3.37 ± 1.08 D
Volume 389.52 Å 3
Surface Area 320.87 Å 2
HOMO Energy -8.49 ± 0.55 eV
LUMO Energy -0.57 ± eV
Point Group Symmetry C1
Synonyms
  • (-)-6beta-acetylthionormorphine
  • 6-acetylthiomorphine
  • kt 88
  • kt-88
CAS Number(s)
  • 117152-64-4
InChIKey IQAOQEHSVLTFRY-MKUCUKIISA-N
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