Formula |
C22H21ClN4O3 |
IUPAC Name |
1-[(1s,2s)-1-[2-[2-(4-chlorophenyl)-1,3-benzoxazol-7-yl]ethyl]-2-hydroxy-propyl]-2h-imidazol-1-ium-2-ylium-4-carboxamide |
Molecular Mass |
424.880 g·mol−1 |
Heat of Formation |
-184.0 ± 16.7 kJ·mol−1 |
Dipole Moment |
4.40 ± 1.08 D |
Volume |
488.82 Å 3 |
Surface Area |
424.89 Å 2 |
HOMO Energy |
-9.43 ± 0.55 eV |
LUMO Energy |
-1.71 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
SMFRBBHLVBWHGB-DJJJIMSYSA-N |
QR Code |
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Links |
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Elements |
H
C
N
O
Cl
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