Geometry & MOs

Info

ID:	342377
PubChem CID:	127265200
Reduced:	ClNSO5C13H18 (1)
Stoich.:	ABCD5E13F18 (1)
Weight, g/mol:	299.943012
ΔH_f, kcal/mol:	-204.32
Dipole, Da:	6.02
IP(EA), eV:	-9.93(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(3-chloro-4-nitrophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

Drug info:

PubChemData

Smile

CCOCCCNS(=O)(=O)C1=CC(=C(C(=C1)C)Cl)C(=O)O

DOS

IR

Vibrations