Geometry & MOs

Info

ID:	78983
PubChem CID:	49742979
Reduced:	SN2O2H16C18 (1)
Stoich.:	AB2C2D16E18 (1)
Weight, g/mol:	453.0688
ΔH_f, kcal/mol:	-23.9
Dipole, Da:	5.4
IP(EA), eV:	-8.84(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-bromophenyl)-N-(4-ethyl-2-oxo-1H-quinolin-7-yl)-5-oxopyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

CCC1=CC(=O)NC2=C1C=CC(=C2)NC(=O)/C=C\C3=CC=CS3

DOS

IR

Vibrations