Geometry & MOs

Info

ID:

432447

PubChem CID:

135172580

Reduced:

Cl2O3N5C29H33 (1)

Stoich.:

A2B3C5D29E33 (1)

Weight, g/mol:

686.30958

ΔHf, kcal/mol:

-86.68

Dipole, Da:

6.74

IP(EA), eV:

 -8.33(-0.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1(CCC(CC1)N2CCC3=C(C2)N=C(N3C)C(=O)NC4=CC=CC(=C4Cl)C5=C(C(=CC=C5)NC)Cl)C(=O)O

DOS

IR

Vibrations