Geometry & MOs

Info

ID:	165296
PubChem CID:	74528791
Reduced:	NSO5H17C20 (1)
Stoich.:	ABC5D17E20 (1)
Weight, g/mol:	417.043771
ΔH_f, kcal/mol:	-144.23
Dipole, Da:	0.89
IP(EA), eV:	-9.23(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CN2C(=O)C(=CC3=CC=CC=C3OCCC(=O)O)SC2=O

DOS

IR

Vibrations