Geometry & MOs

Info

ID:	167942
PubChem CID:	74901550
Reduced:	ClNS2O3C16H16 (1)
Stoich.:	ABC2D3E16F16 (1)
Weight, g/mol:	369.026013
ΔH_f, kcal/mol:	-84.19
Dipole, Da:	4.78
IP(EA), eV:	-9.48(-1.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-[(3-chlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-3-methylpentanoic acid

Drug info:

PubChemData

Smile

CCC(C)C(C(=O)O)N1C(=O)C(=CC2=CC=C(C=C2)Cl)SC1=S

DOS

IR

Vibrations