Geometry & MOs

Info

ID:	68803
PubChem CID:	46509125
Reduced:	FO2N3C22H22 (1)
Stoich.:	AB2C3D22E22 (1)
Weight, g/mol:	421.109627
ΔH_f, kcal/mol:	-71.28
Dipole, Da:	3.16
IP(EA), eV:	-9.15(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(furan-2-yl)-N-[[3-(methanesulfonamido)phenyl]methyl]quinoline-4-carboxamide

Drug info:

PubChemData

Smile

C1CC(CN(C1)C(=O)CCC(=O)C2=CC=C(C=C2)F)C3=NC4=CC=CC=C4N3

DOS

IR

Vibrations