Geometry & MOs

Info

ID:

437272

PubChem CID:

135220806

Reduced:

SO4N6C26H36 (1)

Stoich.:

AB4C6D26E36 (1)

Weight, g/mol:

483.202375

ΔHf, kcal/mol:

-72.21

Dipole, Da:

5.83

IP(EA), eV:

 -8.39(-0.76)

Spin(Sz, S2):

 None, None

Charge, e:

 1

Chem-info

IUPAC name:

4-[1-[2-(4-aza-1-azoniabicyclo[2.2.2]octan-1-yl)ethylamino]ethyl]-2-chloro-N-[(E)-(5-nitrobenzimidazol-2-ylidene)amino]aniline

Drug info:

PubChemData

Smile

CC1(CCC(CC1N2C3=C(C(=CC=C3)S(=O)(=O)N)NO2)C4=NC5=C(C=C4)N(C(=O)N5C)CC(C)(C)C)C

DOS

IR

Vibrations