Geometry & MOs

Info

ID:

447480

PubChem CID:

135283188

Reduced:

FCl2N3O5C32H32 (1)

Stoich.:

AB2C3D5E32F32 (1)

Weight, g/mol:

516.248504

ΔHf, kcal/mol:

-189.64

Dipole, Da:

4.8

IP(EA), eV:

 -9.62(-1.22)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-(2-methylprop-2-enoylamino)ethyl N-[[4-[[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]methyl]phenyl]methyl]carbamate

Drug info:

PubChemData

Smile

CC(C1CCOCC1)(C2=CC3=C(C(=C2)F)[C@@](N(C3=O)CC4=NC=C(C=C4)Cl)(C5=CC=C(C=C5)Cl)OCC6(CC6)C(=O)N)O

DOS

IR

Vibrations