| Formula |
C22H17FN6O3 |
| IUPAC Name |
4-[[5-[2-[(3-fluorophenyl)methylcarbamoyl]-4-pyridyl]-3,4-diaza-2-azonia-1-azanidacyclopenta-2,4-dien-2-yl]methyl]benzoic acid |
| Molecular Mass |
432.407 g·mol−1 |
| Heat of Formation |
-56.7 ± 16.7 kJ·mol−1 |
| Dipole Moment |
4.59 ± 1.08 D |
| Volume |
484.01 Å 3 |
| Surface Area |
443.16 Å 2 |
| HOMO Energy |
-9.72 ± 0.55 eV |
| LUMO Energy |
-1.65 ± eV |
| Point Group Symmetry |
C1
|
| InChIKey |
VMAHZFWSXKJIIT-UHFFFAOYSA-N |
| QR Code |
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| Links |
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|
| DOI |
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| Downloads |
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|
| Elements |
H
C
F
O
N
|
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