Formula |
C24H24ClN5O4 |
IUPAC Name |
tert-butyl 6-[2-chloro-4-(dimethylcarbamoyl)anilino]-2-oxazol-5-yl-pyrrolo[3,2-c]pyridin-1-ium-1-carboxylate |
Molecular Mass |
481.931 g·mol−1 |
Heat of Formation |
-316.1 ± 16.7 kJ·mol−1 |
Dipole Moment |
7.54 ± 1.08 D |
Volume |
549.0 Å 3 |
Surface Area |
468.01 Å 2 |
HOMO Energy |
-8.52 ± 0.55 eV |
LUMO Energy |
2.02 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
VGVIWBCNXYVLQY-UHFFFAOYSA-N |
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Elements |
H
C
Cl
O
N
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