Geometry & MOs

Info

ID:	79399
PubChem CID:	49748464
Reduced:	FSN2O6C27H27 (1)
Stoich.:	ABC2D6E27F27 (1)
Weight, g/mol:	527.108183
ΔH_f, kcal/mol:	-201.2
Dipole, Da:	3.09
IP(EA), eV:	-8.44(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-chlorophenyl)-N-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]-5-oxopyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1OC)OC)/C=C/C(=O)NC2=CC3=C(CCCN3S(=O)(=O)C4=CC=C(C=C4)F)C=C2

DOS

IR

Vibrations