Geometry & MOs

Info

ID:	64572
PubChem CID:	29202980
Reduced:	SN2O7C19H20 (1)
Stoich.:	AB2C7D19E20 (1)
Weight, g/mol:	463.210721
ΔH_f, kcal/mol:	-228.68
Dipole, Da:	6.15
IP(EA), eV:	-8.51(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NC1=CC2=C(C=C1)OCCO2)OC(=O)CNS(=O)(=O)C3=CC=CC=C3

DOS

IR

Vibrations