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

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Formula C22H24N2O6S
IUPAC Name 2-[2-[(4-tert-butylphenyl)sulfonylcarbamoyl]-5-methoxy-indol-1-ium-2-ylium-1-yl]acetic acid
Molecular Mass 444.501 g·mol−1
Heat of Formation -846.7 ± 16.7 kJ·mol−1
Dipole Moment 6.85 ± 1.08 D
Volume 506.89 Å 3
Surface Area 433.74 Å 2
HOMO Energy -8.47 ± 0.55 eV
LUMO Energy -0.77 ± eV
Point Group Symmetry C1
InChIKey MOBCJUUCVPLZOG-UHFFFAOYSA-N
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