Geometry & MOs

Info

ID:	22556
PubChem CID:	597728
Reduced:	OCl2N2S2H12C17 (1)
Stoich.:	AB2C2D2E12F17 (1)
Weight, g/mol:	393.976811
ΔH_f, kcal/mol:	34.39
Dipole, Da:	1.63
IP(EA), eV:	-8.82(-1.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(2-chloroanilino)methyl]-5-[(4-chlorophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)NCN2C(=O)C(=CC3=CC=C(C=C3)Cl)SC2=S)Cl

DOS

IR

Vibrations