Geometry & MOs

Info

ID:	307759
PubChem CID:	125308895
Reduced:	ON3H17C18 (1)
Stoich.:	AB3C17D18 (1)
Weight, g/mol:	338.090272
ΔH_f, kcal/mol:	33.57
Dipole, Da:	1.16
IP(EA), eV:	-8.7(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[[(3R)-2,4-dioxo-1H-quinoline-3-carbonyl]amino]benzoate

Drug info:

PubChemData

Smile

CN1[C@@H](CC2=CC=CC=C21)C(=O)NC3=CC4=C(CC=N4)C=C3

DOS

IR

Vibrations