Geometry & MOs

Info

ID:	79396
PubChem CID:	49748460
Reduced:	FSN3O5H26C27 (1)
Stoich.:	ABC3D5E26F27 (1)
Weight, g/mol:	523.15772
ΔH_f, kcal/mol:	-187.05
Dipole, Da:	8.01
IP(EA), eV:	-8.62(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)N2CC(CC2=O)C(=O)NC3=CC4=C(CCCN4S(=O)(=O)C5=CC=C(C=C5)F)C=C3

DOS

IR

Vibrations