Geometry & MOs

Info

ID:

432441

PubChem CID:

135172574

Reduced:

Cl2O3N5C29H33 (1)

Stoich.:

A2B3C5D29E33 (1)

Weight, g/mol:

772.301907

ΔHf, kcal/mol:

-84.63

Dipole, Da:

6.36

IP(EA), eV:

 -8.4(-0.4)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[[2-[[2-chloro-3-[2-chloro-3-[(1,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carbonyl)amino]phenyl]phenyl]carbamoyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methyl]bicyclo[3.3.1]nonane-1-carboxylic acid

Drug info:

PubChemData

Smile

CNC1=CC=CC(=C1Cl)C2=C(C(=CC=C2)NC(=O)C3=NC4=C(N3C)CCN(C4)CC5CCC(CC5)C(=O)O)Cl

DOS

IR

Vibrations