Geometry & MOs

Info

ID:	128106
PubChem CID:	51031340
Reduced:	O2F3N3C28H30 (1)
Stoich.:	A2B3C3D28E30 (1)
Weight, g/mol:	433.048378
ΔH_f, kcal/mol:	-153.01
Dipole, Da:	5.99
IP(EA), eV:	-9.08(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[6-chloro-4-(2-chlorophenyl)-2-oxo-1H-quinolin-3-yl]ethyl 2-acetyloxyacetate

Drug info:

PubChemData

Smile

C1CN(CCN1C(CCO)C(=O)NCC2=CC=CC=C2F)C(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F

DOS

IR

Vibrations