Geometry & MOs

Info

ID:

80012

PubChem CID:

49832186

Reduced:

ClSN4O11C40H49 (1)

Stoich.:

ABC4D11E40F49 (1)

Weight, g/mol:

515.216869

ΔHf, kcal/mol:

-441.98

Dipole, Da:

7.52

IP(EA), eV:

 -9.31(-0.93)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(=O)C[C@@H](/C=C(/S(=O)(=O)C)\Cl)NC(=O)[C@@H](C(C)C)NC(=O)[C@H](CC1=CC=CC2=CC=CC=C21)NC(=O)[C@H](CC(=O)OCC)NC(=O)OCC3=CC=CC=C3

DOS

IR

Vibrations