Geometry & MOs

Info

ID:

447426

PubChem CID:

135282782

Reduced:

ClFO4N5H29C32 (1)

Stoich.:

ABC4D5E29F32 (1)

Weight, g/mol:

526.215095

ΔHf, kcal/mol:

-56.34

Dipole, Da:

7.07

IP(EA), eV:

 -9.71(-1.36)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-(2-methylprop-2-enylamino)ethyl N-[[4-[(4-amino-2-thiophen-3-ylimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]methyl]carbamate

Drug info:

PubChemData

Smile

CC(C1=CC2=C(C(=C1)F)[C@@](N(C2=O)CC3=NC=C(C=C3)C#N)(C4=CC=C(C=C4)Cl)OCC5(CC5)CO)(C6=CN(N=C6)C)O

DOS

IR

Vibrations