Geometry & MOs

Info

ID:

432382

PubChem CID:

135172515

Reduced:

NOC31H53 (1)

Stoich.:

ABC31D53 (1)

Weight, g/mol:

796.382744

ΔHf, kcal/mol:

-85.48

Dipole, Da:

2.55

IP(EA), eV:

 -8.34(0.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[2-[3-[3-[2-chloro-3-[[1-methyl-5-(oxan-4-yl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carbonyl]amino]phenyl]-2-methylanilino]oxiran-2-yl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-1-methylcyclohexane-1-carboxylic acid

Drug info:

PubChemData

Smile

CC(=C)C1=CC=C(C=C1)C(C)(C)C(C)(C)OC(C)(C)C(C)(C)C2CN(C2)C(C)(C)C(C)(C)C

DOS

IR

Vibrations