14-Methyleudistomidin C

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Properties Simple | Detailed

Formula C16H18BrN3OS
IUPAC Name 5-bromo-1-[(1s)-1-(dimethylamino)-2-methylsulfanyl-ethyl]pyrido[3,4-b]indol-9-ium-6-ol
Molecular Mass 380.303 g·mol−1
Heat of Formation 85.5 ± 16.7 kJ·mol−1
Dipole Moment 3.44 ± 1.08 D
Volume 392.34 Å 3
Surface Area 322.48 Å 2
HOMO Energy -8.32 ± 0.55 eV
LUMO Energy 2.10 ± eV
Point Group Symmetry C1
Synonyms
  • 5-bromo-1-[(1s)-1-dimethylamino-2-(methylthio)ethyl]-9h-$b-carbolin-6-ol
  • 5-bromo-1-[(1s)-1-dimethylamino-2-(methylthio)ethyl]-9h-pyrido[3,4-b]indol-6-ol
  • 5-bromo-1-[(1s)-1-dimethylamino-2-methylsulfanyl-ethyl]-9h-pyrido[3,4-b]indol-6-ol
  • 5-bromo-1-[(1s)-1-dimethylamino-2-methylsulfanylethyl]-9h-pyrido[3,4-b]indol-6-ol
InChIKey UXXSAQIRPRDAQT-LLVKDONJSA-N
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Elements C H O N S Br