Geometry & MOs

Info

ID:	171443
PubChem CID:	75378439
Reduced:	NSO2C16H17 (1)
Stoich.:	ABC2D16E17 (1)
Weight, g/mol:	319.118158
ΔH_f, kcal/mol:	-32.83
Dipole, Da:	4.82
IP(EA), eV:	-8.38(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1-phenyltriazol-4-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide

Drug info:

PubChemData

Smile

CC(=O)NC1=CC=C(C=C1)S(=O)CCC2=CC=CC=C2

DOS

IR

Vibrations