Formula |
C23H23N3O4 |
IUPAC Name |
ethyl 6-[[5-(cyclopropylcarbamoyl)-2-methyl-phenyl]carbamoyl]-7h-indol-1-ium-7-ide-1-carboxylate |
Molecular Mass |
405.446 g·mol−1 |
Heat of Formation |
-389.8 ± 16.7 kJ·mol−1 |
Dipole Moment |
9.80 ± 1.08 D |
Volume |
477.5 Å 3 |
Surface Area |
438.78 Å 2 |
HOMO Energy |
-8.95 ± 0.55 eV |
LUMO Energy |
-1.01 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
SNCXIBOVAVIFGA-UHFFFAOYSA-N |
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Elements |
H
C
O
N
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