Geometry & MOs

Info

ID:

432393

PubChem CID:

135172526

Reduced:

Cl2O3N5C28H31 (1)

Stoich.:

A2B3C5D28E31 (1)

Weight, g/mol:

664.244393

ΔHf, kcal/mol:

-80.92

Dipole, Da:

6.36

IP(EA), eV:

 -8.42(-0.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-chloro-3-[2-chloro-3-[[5-[(2R)-2-hydroxypropyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carbonyl]amino]phenyl]phenyl]-5-ethyl-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CNC1=CC=CC(=C1Cl)C2=C(C(=CC=C2)NC(=O)C3=NC4=C(N3C)CCN(C4)C5CCC(CC5)C(=O)O)Cl

DOS

IR

Vibrations