Geometry & MOs

Info

ID:

432516

PubChem CID:

135172649

Reduced:

Cl2O3N8C32H36 (1)

Stoich.:

A2B3C8D32E36 (1)

Weight, g/mol:

762.281172

ΔHf, kcal/mol:

-44.72

Dipole, Da:

4.91

IP(EA), eV:

 -8.78(-0.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[[2-[[2-chloro-3-[2-chloro-3-[[5-(1-hydroxyethyl)-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

C[C@H](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)C)Cl)O

DOS

IR

Vibrations