Geometry & MOs

Info

ID:	36318
PubChem CID:	8001601
Reduced:	ClN2O4H15C18 (1)
Stoich.:	AB2C4D15E18 (1)
Weight, g/mol:	358.072035
ΔH_f, kcal/mol:	-126.03
Dipole, Da:	5.32
IP(EA), eV:	-9.41(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[(3R)-1-[(4-chlorophenyl)methyl]-2,5-dioxopyrrolidin-3-yl]amino]benzoic acid

Drug info:

PubChemData

Smile

C1[C@@H](C(=O)N(C1=O)CC2=CC=C(C=C2)Cl)NC3=CC=C(C=C3)C(=O)O

DOS

IR

Vibrations