Geometry & MOs

Info

ID:	144420
PubChem CID:	53365781
Reduced:	OSN3H15C17 (1)
Stoich.:	ABC3D15E17 (1)
Weight, g/mol:	402.111024
ΔH_f, kcal/mol:	36.41
Dipole, Da:	5.1
IP(EA), eV:	-8.58(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,5-dimethoxyphenyl)-5-methyl-1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]triazole-4-carboxamide

Drug info:

PubChemData

Smile

C1CC2=C(C1)C=C(C=C2)NC(=O)CSC3=C(C=CC=N3)C#N

DOS

IR

Vibrations