Geometry & MOs

Info

ID:

432442

PubChem CID:

135172575

Reduced:

ClO2N4C20H23 (2)

Stoich.:

AB2C4D20E23 (2)

Weight, g/mol:

706.254957

ΔHf, kcal/mol:

-103.27

Dipole, Da:

6.4

IP(EA), eV:

 -8.78(-0.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-[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]hexanoic acid

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)CC7CCC8(CCCC7C8)C(=O)O)Cl

DOS

IR

Vibrations