Geometry & MOs

Info

ID:	54235
PubChem CID:	16955363
Reduced:	SN3O3C16H21 (1)
Stoich.:	AB3C3D16E21 (1)
Weight, g/mol:	319.099063
ΔH_f, kcal/mol:	-71.37
Dipole, Da:	6.98
IP(EA), eV:	-8.32(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,4-dimethoxyanilino)-N-prop-2-enyl-1,3-thiazole-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)CNC(=O)C1=CSC(=N1)NC2=CC(=C(C=C2)OC)OC

DOS

IR

Vibrations