Formula |
C19H17ClN2O3S |
IUPAC Name |
2-[4-acetamido-3-(4-chlorophenyl)sulfanyl-2-methyl-indol-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
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Synonyms
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- 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
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InChIKey |
JWYIGNODXSRKGP-UHFFFAOYSA-N |
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Links |
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DOI |
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Downloads |
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Elements |
C
Cl
H
O
N
S
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