Geometry & MOs

Info

ID:

170145

PubChem CID:

75203452

Reduced:

O2F3N4H19C20 (1)

Stoich.:

A2B3C4D19E20 (1)

Weight, g/mol:

798.189305

ΔHf, kcal/mol:

-155.61

Dipole, Da:

11.76

IP(EA), eV:

 -8.97(-0.81)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[[N-[[(3R)-1-azabicyclo[2.2.2]octan-3-yl]oxycarbonyl]-4-(methanesulfonamido)anilino]methyl]-2-[(1S)-2-(3,5-dichloro-1-oxidopyridin-1-ium-4-yl)-1-(3,4-dimethoxyphenyl)ethyl]benzoic acid

Drug info:

PubChemData

Smile

CN1C(=CC(=N1)C(F)(F)F)C2=NC3=C(C=C2)NC(=C3)C4=CCC5(CC4)OCCO5

DOS

IR

Vibrations