Geometry & MOs

Info

ID:	167943
PubChem CID:	74901551
Reduced:	ClNS2O3C16H16 (1)
Stoich.:	ABC2D3E16F16 (1)
Weight, g/mol:	397.098394
ΔH_f, kcal/mol:	-83.98
Dipole, Da:	4.02
IP(EA), eV:	-9.53(-1.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[[3-(4-methylphenyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]butanoic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations