1,3-Bis(2-{[(1S)-5-Hydroxy-1,8-Dimethyl-1,6-Dihydropyrrolo[3,2-E]Indol-3(2H)-Yl]Carbonyl}-1H-Indol-5-Yl)Urea

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Properties Simple | Detailed

Formula C43H38N8O5
IUPAC Name 1,3-bis[2-[(8s)-4-hydroxy-1,8-dimethyl-7,8-dihydropyrrolo[3,2-e]indol-3-ium-5a-ylium-6-carbonyl]-4h-indol-1-ium-4-id-5-yl]urea
Molecular Mass 746.812 g·mol−1
Heat of Formation -195.2 ± 16.7 kJ·mol−1
Dipole Moment 4.51 ± 1.08 D
Volume 826.68 Å 3
Surface Area 713.36 Å 2
HOMO Energy -7.82 ± 0.55 eV
LUMO Energy -0.68 ± eV
Point Group Symmetry C1
Synonyms
  • 1,3-bis[2-[(8s)-4-hydroxy-1,8-dimethyl-7,8-dihydro-3h-pyrrolo[3,2-e]indole-6-carbonyl]-1h-indol-5-yl]urea
  • 1,3-bis[2-[(8s)-4-hydroxy-1,8-dimethyl7,8-dihydro-3h-pyrrolo[3,2-e]indole-6-carbonyl]-1h-indol-5-yl]urea
  • 1,3-bis[2-[[(8s)-4-hydroxy-1,8-dimethyl-7,8-dihydro-3h-pyrrolo[3,2-e]indol-6-yl]-oxomethyl]-1h-indol-5-yl]urea
  • 1,3-bis[2-[[(8s)-4-hydroxy-1,8-dimethyl-7,8-dihydro-3h-pyrrolo[3,2-e]indol-6-yl]carbonyl]-1h-indol-5-yl]urea
  • biz
InChIKey OAOMXBKMJIBOHZ-FGZHOGPDSA-N
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