Formula |
C15H15FIN3O3 |
IUPAC Name |
n-[(2s)-2,3-dihydroxypropyl]-3-(2-fluoro-4-iodo-anilino)pyridin-1-ium-3-ide-4-carboxamide |
Molecular Mass |
431.201 g·mol−1 |
Heat of Formation |
-456.6 ± 16.7 kJ·mol−1 |
Dipole Moment |
3.97 ± 1.08 D |
Volume |
390.82 Å 3 |
Surface Area |
325.62 Å 2 |
HOMO Energy |
-8.65 ± 0.55 eV |
LUMO Energy |
-1.05 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
VIUAUNHCRHHYNE-JTQLQIEISA-N |
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Elements |
C
F
I
H
O
N
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