Geometry & MOs

Info

ID:

447411

PubChem CID:

135282674

Reduced:

ClFNO6C28H33 (1)

Stoich.:

ABCD6E28F33 (1)

Weight, g/mol:

535.233188

ΔHf, kcal/mol:

-298.49

Dipole, Da:

5.54

IP(EA), eV:

 -9.28(-1.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC[C@@](C1CCN(CC1)C(=O)OC(C)(C)C)(C2=CC(=C(C(=C2)F)C(=O)C3=CC=C(C=C3)Cl)C(=O)OC)O

DOS

IR

Vibrations