Geometry & MOs

Info

ID:	1780
PubChem CID:	5042
Reduced:	ClN2O4H15C19 (1)
Stoich.:	AB2C4D15E19 (1)
Weight, g/mol:	370.072035
ΔH_f, kcal/mol:	-125.29
Dipole, Da:	3.03
IP(EA), eV:	-9.36(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-chlorobenzoyl)amino]-3-(2-oxo-1H-quinolin-4-yl)propanoic acid

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=CC(=O)N2)CC(C(=O)O)NC(=O)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations