Geometry & MOs

Info

ID:	68104
PubChem CID:	46507755
Reduced:	SO3N5H21C23 (1)
Stoich.:	AB3C5D21E23 (1)
Weight, g/mol:	451.086974
ΔH_f, kcal/mol:	0.69
Dipole, Da:	3.44
IP(EA), eV:	-8.52(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-(2-chloroanilino)-2-oxoethyl]sulfanyl-N-(4-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC(=O)C2=CN3C(=NN=C3SCC(=O)NC4=CC=C(C=C4)OC)C=C2

DOS

IR

Vibrations