Formula |
C22H20Cl2F2N4O3 |
IUPAC Name |
2-[3-chloro-6-[[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]-1-oxido-pyridin-1-ium-2-yl]-n-[(1r)-1-(3-chlorophenyl)ethyl]acetamide |
Molecular Mass |
497.322 g·mol−1 |
Heat of Formation |
-495.4 ± 16.7 kJ·mol−1 |
Dipole Moment |
1.32 ± 1.08 D |
Volume |
504.32 Å 3 |
Surface Area |
371.63 Å 2 |
HOMO Energy |
-9.12 ± 0.55 eV |
LUMO Energy |
1.85 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
ISTCYDGUBPNUDF-CQSZACIVSA-N |
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Links |
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Elements |
C
Cl
H
F
O
N
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