Geometry & MOs

Info

ID:	166886
PubChem CID:	74750035
Reduced:	SN3O6C21H21 (1)
Stoich.:	AB3C6D21E21 (1)
Weight, g/mol:	363.125729
ΔH_f, kcal/mol:	-175.08
Dipole, Da:	12.03
IP(EA), eV:	-9.36(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-(3-fluorophenyl)-5-methyl-3-oxo-2-phenyl-5H-pyrazolo[4,3-c]pyridin-5-ium-7-carboxamide

Drug info:

PubChemData

Smile

CC1=NN(C(=C1)NC(=O)COC(=O)C2=CC3=CC=CC=C3C=C2O)C4CCS(=O)(=O)C4

DOS

IR

Vibrations