Geometry & MOs

Info

ID:	234482
PubChem CID:	92298528
Reduced:	N2O2F3H11C17 (1)
Stoich.:	A2B2C3D11E17 (1)
Weight, g/mol:	359.01314
ΔH_f, kcal/mol:	-151.92
Dipole, Da:	3.48
IP(EA), eV:	-9.6(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5E)-2-(4-chloroanilino)-5-[(3-nitrophenyl)methylidene]-1,3-thiazol-4-one

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)O)/C=C(/C#N)\C(=O)NC2=CC=CC(=C2)C(F)(F)F

DOS

IR

Vibrations