Geometry & MOs

Info

ID:	89955
PubChem CID:	49965589
Reduced:	SN3O4C19H23 (1)
Stoich.:	AB3C4D19E23 (1)
Weight, g/mol:	454.086843
ΔH_f, kcal/mol:	-64.91
Dipole, Da:	7.0
IP(EA), eV:	-9.44(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(6-methoxy-1-methylquinolin-1-ium-8-yl)-4-methylbenzenesulfonamide;methyl sulfate

Drug info:

PubChemData

Smile

CC.COC(CN1C(C2=C(NN=C2C1=O)C3=CC=CS3)C4=CC=CO4)OC

DOS

IR

Vibrations