Geometry & MOs

Info

ID:

432400

PubChem CID:

135172533

Reduced:

Cl2O3N8C34H38 (1)

Stoich.:

A2B3C8D34E38 (1)

Weight, g/mol:

674.265128

ΔHf, kcal/mol:

-38.09

Dipole, Da:

5.73

IP(EA), eV:

 -8.73(-0.47)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-chloro-3-[2-chloro-3-[(5-cyclopentyl-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carbonyl)amino]phenyl]phenyl]-5-ethyl-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CN1CCC2=C(C1)N=C(N2C)C(=O)NC3=CC=CC(=C3Cl)C4=C(C(=CC=C4)NC(=O)C5=NC6=C(N5C)CCN(C6)C7CCOCC7)Cl

DOS

IR

Vibrations