Formula |
C22H22N2O5 |
IUPAC Name |
methyl 2-(1-benzyl-2-ethyl-3-oxamoyl-indol-1-ium-2-ylium-4-yl)oxyacetate |
Molecular Mass |
394.420 g·mol−1 |
Heat of Formation |
-606.8 ± 16.7 kJ·mol−1 |
Dipole Moment |
5.03 ± 1.08 D |
Volume |
470.25 Å 3 |
Surface Area |
383.98 Å 2 |
HOMO Energy |
-8.50 ± 0.55 eV |
LUMO Energy |
-0.23 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- 2-[1-(benzyl)-2-ethyl-3-oxamoyl-indol-4-yl]oxyacetic acid methyl ester
- 2-[[2-ethyl-3-oxamoyl-1-(phenylmethyl)-4-indolyl]oxy]acetic acid methyl ester
- methyl 2-[2-ethyl-3-oxamoyl-1-(phenylmethyl)indol-4-yl]oxyacetate
- methyl 2-[2-ethyl-3-oxamoyl-1-(phenylmethyl)indol-4-yl]oxyethanoate
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InChIKey |
VJYDOJXJUCJUHL-UHFFFAOYSA-N |
QR Code |
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Links |
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Downloads |
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Elements |
H
C
O
N
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