Geometry & MOs

Info

ID:	121077
PubChem CID:	50755101
Reduced:	ON3C21H25 (1)
Stoich.:	AB3C21D25 (1)
Weight, g/mol:	426.136176
ΔH_f, kcal/mol:	-6.31
Dipole, Da:	2.04
IP(EA), eV:	-8.82(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(3,4-dimethoxybenzoyl)amino]-2-(2,5-dimethylanilino)-1,3-thiazole-4-carboxamide

Drug info:

PubChemData

Smile

CCCCC(CC)C(=O)NC1=CC=CC(=C1)C2=NC3=CC=CC=C3N2

DOS

IR

Vibrations