Geometry & MOs

Info

ID:	435690
PubChem CID:	135192163
Reduced:	FN2O4C30H35 (1)
Stoich.:	AB2C4D30E35 (1)
Weight, g/mol:	388.125692
ΔH_f, kcal/mol:	-166.92
Dipole, Da:	4.53
IP(EA), eV:	-8.41(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCOC1=CC(=C(C=C1)C2=C(C3=C(C=C2)NC(C(=O)N3C)(C)C)COC4=C(C=CC(=C4)F)C)OC

DOS

IR

Vibrations