Geometry & MOs

Info

ID:	158273
PubChem CID:	56463273
Reduced:	FSO3N4H23C24 (1)
Stoich.:	ABC3D4E23F24 (1)
Weight, g/mol:	428.140593
ΔH_f, kcal/mol:	-60.08
Dipole, Da:	3.65
IP(EA), eV:	-9.61(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,4-dimethoxyphenyl)-N-(2-ethylsulfonylethyl)quinoline-4-carboxamide

Drug info:

PubChemData

Smile

CCS(=O)(=O)CCNC(=O)C1=CC(=NC2=C1C=NN2CC3=CC(=CC=C3)F)C4=CC=CC=C4

DOS

IR

Vibrations