Formula |
C24H18F2N2O5 |
IUPAC Name |
carbon dioxide; 1-(2,2-difluoro-1,3-benzodioxol-5-yl)-n-(5-methyl-6-phenyl-pyridin-1-ium-5-id-2-yl)cyclopropanecarboxamide |
Molecular Mass |
452.407 g·mol−1 |
Heat of Formation |
-451.4 ± 16.7 kJ·mol−1 |
Dipole Moment |
3.87 ± 1.08 D |
Volume |
494.8 Å 3 |
Surface Area |
442.0 Å 2 |
HOMO Energy |
-9.14 ± 0.55 eV |
LUMO Energy |
-0.82 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- 3-[6-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-3-methylpyridin-2-yl]benzoic acid
- 3-[6-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]carbonylamino]-3-methyl-pyridin-2-yl]benzoic acid
- 3-[6-[[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-oxomethyl]amino]-3-methyl-2-pyridyl]benzoic acid
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InChIKey |
UFSKUSARDNFIRC-UHFFFAOYSA-N |
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Elements |
H
C
N
O
F
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