Geometry & MOs

Info

ID:	79422
PubChem CID:	49748537
Reduced:	ClSN2O3H21C24 (1)
Stoich.:	ABC2D3E21F24 (1)
Weight, g/mol:	505.167142
ΔH_f, kcal/mol:	-43.97
Dipole, Da:	9.43
IP(EA), eV:	-8.02(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(benzenesulfonyl)-3,4-dihydro-2H-quinolin-6-yl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

C1CC2=C(C=CC(=C2)NC(=O)/C=C/C3=CC=CC=C3Cl)N(C1)S(=O)(=O)C4=CC=CC=C4

DOS

IR

Vibrations