Geometry & MOs

Info

ID:	167941
PubChem CID:	74901549
Reduced:	NS2O5C17H17 (1)
Stoich.:	AB2C5D17E17 (1)
Weight, g/mol:	369.026013
ΔH_f, kcal/mol:	-157.86
Dipole, Da:	4.87
IP(EA), eV:	-9.65(-2.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-[(4-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)C(=O)O)SC1=S

DOS

IR

Vibrations