Geometry & MOs

Info

ID:

188352

PubChem CID:

77703136

Reduced:

N2O11C28H28 (1)

Stoich.:

A2B11C28D28 (1)

Weight, g/mol:

643.200231

ΔHf, kcal/mol:

-411.61

Dipole, Da:

5.38

IP(EA), eV:

 -8.66(-1.78)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[4-[2-[[3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-4-phenylimidazo[4,5-c]pyridin-7-yl]oxy-2-hydroxypropyl]amino]-1-hydroxyethyl]-2-hydroxyphenyl] 2,2,2-trifluoroacetate

Drug info:

PubChemData

Smile

C1CC2(C3CC4=C5C2(CCN3)C(C1N6C(=O)C7=CC=CC=C7C6=O)OC5=C(C=C4)O)O.C(C(C(=O)O)O)(C(=O)O)O

DOS

IR

Vibrations