Geometry & MOs

Info

ID:	122573
PubChem CID:	50812817
Reduced:	FSO3N5H14C19 (1)
Stoich.:	ABC3D5E14F19 (1)
Weight, g/mol:	382.122989
ΔH_f, kcal/mol:	-36.39
Dipole, Da:	12.93
IP(EA), eV:	-9.43(-1.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C2=NN=C3N2C=CC=C3C(=O)NC4=CC=C(C=C4)S(=O)(=O)N)F

DOS

IR

Vibrations