Geometry & MOs

Info

ID:	338906
PubChem CID:	127259917
Reduced:	ClO2C17H17 (1)
Stoich.:	AB2C17D17 (1)
Weight, g/mol:	343.036188
ΔH_f, kcal/mol:	-66.31
Dipole, Da:	1.67
IP(EA), eV:	-9.58(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-hydroxy-2,5-dioxo-1-(3-phenylpropanoyloxy)pyrrolidine-3-sulfonic acid

Drug info:

PubChemData

Smile

CC(C1=CC=C(C=C1)Cl)OC(=O)CCC2=CC=CC=C2

DOS

IR

Vibrations