Geometry & MOs

Info

ID:

316187

PubChem CID:

126630331

Reduced:

Cl3N6O6H51C52 (1)

Stoich.:

A3B6C6D51E52 (1)

Weight, g/mol:

393.147075

ΔHf, kcal/mol:

-124.14

Dipole, Da:

4.22

IP(EA), eV:

 -8.91(-0.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]oxypropan-2-yl]methanesulfonamide

Drug info:

PubChemData

Smile

CC(C)[C@@H](C(=O)NC(CC1=CN(C=N1)C(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)C(=O)N5CCC[C@H](N5)C(=O)OCC(Cl)(Cl)Cl)NC(=O)OCC6C7=CC=CC=C7C8=CC=CC=C68

DOS

IR

Vibrations