Geometry & MOs

Info

ID:	165295
PubChem CID:	74528790
Reduced:	NS2O4H17C20 (1)
Stoich.:	AB2C4D17E20 (1)
Weight, g/mol:	383.082744
ΔH_f, kcal/mol:	-78.96
Dipole, Da:	1.11
IP(EA), eV:	-8.94(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-[(3-benzyl-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=S

DOS

IR

Vibrations