Geometry & MOs

Info

ID:

179538

PubChem CID:

76495630

Reduced:

N2O3H28C30 (1)

Stoich.:

A2B3C28D30 (1)

Weight, g/mol:

719.424457

ΔHf, kcal/mol:

-27.81

Dipole, Da:

2.69

IP(EA), eV:

 -8.74(0.05)

Spin(Sz, S2):

 None, None

Charge, e:

 1

Chem-info

IUPAC name:

ethyl 3-[(1-ethoxy-4-methyl-1-oxopentan-2-yl)-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)butanoyl]amino]-4-methyl-2-[4-(2-methyl-1H-imidazo[4,5-c]pyridin-3-ium-3-yl)butanoylamino]pentanoate

Drug info:

PubChemData

Smile

C1C(NCC2=CC=CC=C21)C(=O)NC3=CC(=CC(=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5

DOS

IR

Vibrations