Formula |
C24H23ClN2O4 |
IUPAC Name |
(2s)-3-[1-[[2-(2-chlorophenyl)-5-methyl-oxazol-4-yl]methyl]-3h-indol-1-ium-3-id-5-yl]-2-ethoxy-propanoic acid |
Molecular Mass |
438.903 g·mol−1 |
Heat of Formation |
-405.9 ± 16.7 kJ·mol−1 |
Dipole Moment |
4.58 ± 1.08 D |
Volume |
505.68 Å 3 |
Surface Area |
401.66 Å 2 |
HOMO Energy |
-8.32 ± 0.55 eV |
LUMO Energy |
2.38 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- (2s)-3-[1-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]indol-5-yl]-2-ethoxy-propanoic acid
- (2s)-3-[1-[[2-(2-chlorophenyl)-5-methyl-4-oxazolyl]methyl]-5-indolyl]-2-ethoxypropanoic acid
- (2s)-3-[1-[[2-(2-chlorophenyl)-5-methyl-oxazol-4-yl]methyl]indol-5-yl]-2-ethoxy-propanoic acid
- (2s)-3-[1-[[2-(2-chlorophenyl)-5-methyl-oxazol-4-yl]methyl]indol-5-yl]-2-ethoxy-propionic acid
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InChIKey |
PAWOPJKHTZCKMT-QFIPXVFZSA-N |
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Links |
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DOI |
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Elements |
H
C
Cl
O
N
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