Gavestinel

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Properties Simple | Detailed

Formula C18H12Cl2N2O3
IUPAC Name 3-[(e)-3-anilino-3-oxo-prop-1-enyl]-4,6-dichloro-indol-1-ium-2-carboxylic acid
Molecular Mass 375.205 g·mol−1
Heat of Formation -277.6 ± 16.7 kJ·mol−1
Dipole Moment 5.60 ± 1.08 D
Volume 396.66 Å 3
Surface Area 357.84 Å 2
HOMO Energy -8.77 ± 0.55 eV
LUMO Energy -1.57 ± eV
Point Group Symmetry C1
Synonyms
  • 1h-indole-2-carboxylic acid, 4,6-dichloro-3-((1e)-3-oxo-3-(phenylamino)-1-propenyl)-
  • 1h-indole-2-carboxylic acid, 4,6-dichloro-3-(3-oxo-3-(phenylamino)-1-propenyl)-, (e)-
  • 4,6-dichloro-3-[(e)-3-keto-3-(phenylamino)prop-1-enyl]-1h-indole-2-carboxylic acid
  • 4,6-dichloro-3-[(e)-3-oxo-3-(phenylamino)prop-1-enyl]-1h-indole-2-carboxylic acid
  • d04308
  • gavestinel (usan)
  • gv 150526a
  • gv 150526x
CAS Number(s)
  • 153436-22-7
InChIKey WZBNEZWCNKUOSM-VOTSOKGWSA-N
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