Geometry & MOs

Info

ID:	54860
PubChem CID:	17389419
Reduced:	SN2O2Cl3H15C23 (1)
Stoich.:	AB2C2D3E15F23 (1)
Weight, g/mol:	431.093977
ΔH_f, kcal/mol:	12.68
Dipole, Da:	3.3
IP(EA), eV:	-9.08(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-2-anilino-5-[[4-[(4-nitrophenyl)methoxy]phenyl]methylidene]-1,3-thiazol-4-one

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)NC2=NC(=O)/C(=C/C3=CC=C(C=C3)OCC4=C(C=C(C=C4)Cl)Cl)/S2)Cl

DOS

IR

Vibrations