Geometry & MOs

Info

ID:	80364
PubChem CID:	49834171
Reduced:	ClSO3N4C21H21 (1)
Stoich.:	ABC3D4E21F21 (1)
Weight, g/mol:	498.237939
ΔH_f, kcal/mol:	-37.76
Dipole, Da:	10.03
IP(EA), eV:	-8.75(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-[5-(ethylamino)-6-methylpyridin-3-yl]-1-[6-(2-methoxyethoxy)-2-methylpyridin-3-yl]-3-methylimidazo[4,5-c]quinolin-2-one

Drug info:

PubChemData

Smile

CN1CCC2=C(C1=O)C=C(C=C2)N(CC3=CC=C(C=C3)Cl)S(=O)(=O)C4=NN(C=C4)C

DOS

IR

Vibrations