Geometry & MOs

Info

ID:	68106
PubChem CID:	46507759
Reduced:	SO4N5H23C24 (1)
Stoich.:	AB4C5D23E24 (1)
Weight, g/mol:	507.15764
ΔH_f, kcal/mol:	-40.0
Dipole, Da:	3.63
IP(EA), eV:	-8.66(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-methylphenyl)-3-[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl]sulfanyl-[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=C(C=CC(=C4)OC)OC)C=C2

DOS

IR

Vibrations