Geometry & MOs

Info

ID:	32661
PubChem CID:	7847050
Reduced:	ClFN2O3H18C21 (1)
Stoich.:	ABC2D3E18F21 (1)
Weight, g/mol:	396.12407
ΔH_f, kcal/mol:	-119.37
Dipole, Da:	3.04
IP(EA), eV:	-9.28(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-(3-chloroanilino)-1-oxopropan-2-yl] 2-ethyl-3-methylquinoline-4-carboxylate

Drug info:

PubChemData

Smile

CCC1=NC2=CC=CC=C2C(=C1C)C(=O)OCC(=O)NC3=C(C=CC(=C3)Cl)F

DOS

IR

Vibrations