Alvelestat

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Formula C25H22F3N5O4S+
IUPAC Name 6-methyl-5-(2-methylpyrazol-2-ium-1-id-3-yl)-n-[(5-methylsulfonyl-2-pyridyl)methyl]-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
Molecular Mass 545.533 g·mol−1
Heat of Formation -868.7 ± 16.7 kJ·mol−1
Dipole Moment 10.51 ± 1.08 D
Volume 591.3 Å 3
Surface Area 504.27 Å 2
HOMO Energy -9.62 ± 0.55 eV
LUMO Energy 1.60 ± eV
Point Group Symmetry C1
InChIKey QNQZWEGMKJBHEM-UHFFFAOYSA-N
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