Geometry & MOs

Info

ID:	68103
PubChem CID:	46507754
Reduced:	SO3N6C27H28 (1)
Stoich.:	AB3C6D27E28 (1)
Weight, g/mol:	447.136511
ΔH_f, kcal/mol:	11.64
Dipole, Da:	3.84
IP(EA), eV:	-8.28(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-(4-methoxyanilino)-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)N4CCN(CC4)C5=CC=CC=C5OC)C=C2

DOS

IR

Vibrations