Geometry & MOs

Info

ID:	68341
PubChem CID:	46508222
Reduced:	Cl2N2S2O3H16C20 (1)
Stoich.:	A2B2C2D3E16F20 (1)
Weight, g/mol:	432.06847
ΔH_f, kcal/mol:	-65.43
Dipole, Da:	4.04
IP(EA), eV:	-8.69(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide

Drug info:

PubChemData

Smile

CC1=NC(=CS1)CSC2=CC=CC=C2C(=O)OCC(=O)NC3=C(C=CC(=C3)Cl)Cl

DOS

IR

Vibrations