Geometry & MOs

Info

ID:

432517

PubChem CID:

135172650

Reduced:

Cl2O5N8C38H44 (1)

Stoich.:

A2B5C8D38E44 (1)

Weight, g/mol:

748.265522

ΔHf, kcal/mol:

-157.22

Dipole, Da:

7.64

IP(EA), eV:

 -8.84(-0.55)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[[2-[[2-chloro-3-[2-chloro-3-[[5-(hydroxymethyl)-1-methyl-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]cyclohexane-1-carboxylic acid

Drug info:

PubChemData

Smile

CC(N1CCC2=C(C1)N=C(N2C)C(=O)NC3=CC=CC(=C3Cl)C4=C(C(=CC=C4)NC(=O)C5=NC6=C(N5C)CCN(C6)CC7CCC(CC7)C(=O)O)Cl)O

DOS

IR

Vibrations