Geometry & MOs

Info

ID:	122572
PubChem CID:	50812816
Reduced:	ON2C12H12 (2)
Stoich.:	AB2C12D12 (2)
Weight, g/mol:	411.080139
ΔH_f, kcal/mol:	15.47
Dipole, Da:	7.02
IP(EA), eV:	-8.6(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-fluorophenyl)-N-(4-sulfamoylphenyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC(=C(C=C1)O)NC(=O)C2=CC=CN3C2=NN=C3CC4=CC=CC=C4

DOS

IR

Vibrations