Geometry & MOs

Info

ID:	410476
PubChem CID:	135083274
Reduced:	SN3O3C11H11 (1)
Stoich.:	AB3C3D11E11 (1)
Weight, g/mol:	358.054277
ΔH_f, kcal/mol:	2.75
Dipole, Da:	12.02
IP(EA), eV:	-8.68(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-chlorophenyl)-4-ethoxy-N-phenyl-1,3-thiazole-5-carboxamide

Drug info:

PubChemData

Smile

CN(C)C1=NC(=C(S1)C2=CC=C(C=C2)[N+](=O)[O-])O

DOS

IR

Vibrations