Geometry & MOs

Info

ID:

447445

PubChem CID:

135282944

Reduced:

ClN2O2C14H14 (2)

Stoich.:

AB2C2D14E14 (2)

Weight, g/mol:

540.19436

ΔHf, kcal/mol:

-87.32

Dipole, Da:

3.2

IP(EA), eV:

 -9.16(-0.87)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C1=CC2=C(C=C1)[C@@](N(C2=O)CC3=NC=C(C=C3)Cl)(C4=CC=C(C=C4)Cl)OC)(C(=O)NC5CN(C5)C)O

DOS

IR

Vibrations