2-[4-Acetamido-3-(4-Chlorophenyl)Sulfanyl-2-Methylindol-1-Yl]Acetic Acid

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Properties Simple | Detailed

Formula C19H17ClN2O3S
IUPAC Name 2-[4-acetamido-3-(4-chlorophenyl)sulfanyl-2-methyl-indol-1-ium-1-yl]acetic acid
Molecular Mass 388.868 g·mol−1
Heat of Formation -385.9 ± 16.7 kJ·mol−1
Dipole Moment 5.04 ± 1.08 D
Volume 432.18 Å 3
Surface Area 352.32 Å 2
HOMO Energy -8.26 ± 0.55 eV
LUMO Energy -0.77 ± eV
Point Group Symmetry C1
Synonyms
  • 2-[4-acetamido-3-(4-chlorophenyl)sulfanyl-2-methyl-indol-1-yl]acetic acid
  • 2-[4-acetamido-3-(4-chlorophenyl)sulfanyl-2-methyl-indol-1-yl]ethanoic acid
  • 2-[4-acetamido-3-[(4-chlorophenyl)thio]-2-methyl-1-indolyl]acetic acid
  • 2-[4-acetamido-3-[(4-chlorophenyl)thio]-2-methyl-indol-1-yl]acetic acid
InChIKey JWYIGNODXSRKGP-UHFFFAOYSA-N
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