Geometry & MOs

Info

ID:	317364
PubChem CID:	126636869
Reduced:	ClNO2F4C29H32 (1)
Stoich.:	ABC2D4E29F32 (1)
Weight, g/mol:	388.125692
ΔH_f, kcal/mol:	-258.86
Dipole, Da:	6.66
IP(EA), eV:	-9.29(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(8-fluoro-2-oxo-1-prop-2-enyl-3,4-dihydroquinolin-6-yl)-1-(4-methylphenyl)methanesulfonamide

Drug info:

PubChemData

Smile

C1CCC(C1)C(=O)C2=C(C=C(C(=C2)C3CC3)OCC4CCN(CC4)CC5=C(C=CC(=C5)C(F)(F)F)Cl)F

DOS

IR

Vibrations