Geometry & MOs

Info

ID:	120752
PubChem CID:	50743486
Reduced:	O2N4H12C13 (1)
Stoich.:	A2B4C12D13 (1)
Weight, g/mol:	477.147075
ΔH_f, kcal/mol:	17.56
Dipole, Da:	2.61
IP(EA), eV:	-8.99(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]sulfanyl-N-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)OC2=NC=CN3C2=NNC3=O)C

DOS

IR

Vibrations