Geometry & MOs

Info

ID:	79395
PubChem CID:	49748439
Reduced:	FS2N3O4H20C24 (1)
Stoich.:	AB2C3D4E20F24 (1)
Weight, g/mol:	523.15772
ΔH_f, kcal/mol:	-109.14
Dipole, Da:	6.3
IP(EA), eV:	-8.43(-1.02)
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-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

C1CC2=C(C=C(C=C2)NC(=O)CSC3=NC4=CC=CC=C4O3)N(C1)S(=O)(=O)C5=CC=C(C=C5)F

DOS

IR

Vibrations