5-Fluoro-N-(2-Sulfanylethyl)-1H-Indole-2-Carboxamide

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Properties Simple | Detailed

Formula C11H11FN2OS
IUPAC Name 5-fluoro-n-(2-sulfanylethyl)-4h-indol-1-ium-4-ide-2-carboxamide
Molecular Mass 238.281 g·mol−1
Heat of Formation -171.7 ± 16.7 kJ·mol−1
Dipole Moment 6.46 ± 1.08 D
Volume 271.36 Å 3
Surface Area 261.65 Å 2
HOMO Energy -9.11 ± 0.55 eV
LUMO Energy -0.89 ± eV
Point Group Symmetry C1
Synonyms
  • 5-fluoro-1h-indole-2-carboxylic acid-(2-mercapto-ethyl)-amide
  • 5-fluoro-n-(2-mercaptoethyl)-1h-indole-2-carboxamide
  • fica
  • fxn
InChIKey JFUIHGAGFMFNRD-UHFFFAOYSA-N
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