Geometry & MOs

Info

ID:	13896
PubChem CID:	399681
Reduced:	ClNSO2H6C10 (1)
Stoich.:	ABCD2E6F10 (1)
Weight, g/mol:	238.980777
ΔH_f, kcal/mol:	-48.11
Dipole, Da:	3.25
IP(EA), eV:	-9.74(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(3-chlorophenyl)methylidene]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)Cl)C=C2C(=O)NC(=O)S2

DOS

IR

Vibrations