Geometry & MOs

Info

ID:	435700
PubChem CID:	135192193
Reduced:	FO2N3C36H42 (1)
Stoich.:	AB2C3D36E42 (1)
Weight, g/mol:	388.125692
ΔH_f, kcal/mol:	-43.28
Dipole, Da:	4.38
IP(EA), eV:	-8.33(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-fluoro-4-methylphenyl)-N-(2-oxo-1-propylquinolin-6-yl)methanesulfonamide

Drug info:

PubChemData

Smile

CCC1=C(C2=NC(=CN2C=C1C)C3=CC=CC(=C3)C4=C(C=C(C=C4)F)OC(C)CC=C)N5CCC(CC5)(C)OCC=C

DOS

IR

Vibrations