Geometry & MOs

Info

ID:	63607
PubChem CID:	26758749
Reduced:	ClN2O3H19C22 (1)
Stoich.:	AB2C3D19E22 (1)
Weight, g/mol:	465.064697
ΔH_f, kcal/mol:	-49.67
Dipole, Da:	4.8
IP(EA), eV:	-9.58(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-[(2-chloropyridin-3-yl)amino]-1-oxopropan-2-yl] 2-(2-chlorophenyl)quinoline-4-carboxylate

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NCC=C)OC(=O)C1=CC(=NC2=CC=CC=C21)C3=CC=CC=C3Cl

DOS

IR

Vibrations