(5-Methoxy-2-{[(4-Methylphenyl)Sulfonyl]Carbamoyl}-1H-Indol-1-Yl)Acetic Acid

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Properties Simple | Detailed

Formula C19H18N2O6S
IUPAC Name 2-[5-methoxy-2-(p-tolylsulfonylcarbamoyl)indol-1-ium-2-ylium-1-yl]acetic acid
Molecular Mass 402.421 g·mol−1
Heat of Formation -783.2 ± 16.7 kJ·mol−1
Dipole Moment 6.53 ± 1.08 D
Volume 441.98 Å 3
Surface Area 387.64 Å 2
HOMO Energy -8.49 ± 0.55 eV
LUMO Energy -0.79 ± eV
Point Group Symmetry C1
InChIKey YJQRXPOQBVGZLN-UHFFFAOYSA-N
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