Geometry & MOs

Info

ID:

381143

PubChem CID:

134971794

Reduced:

NSO5C23H29 (1)

Stoich.:

ABC5D23E29 (1)

Weight, g/mol:

597.242318

ΔHf, kcal/mol:

-158.66

Dipole, Da:

3.45

IP(EA), eV:

 -9.12(-0.39)

Spin(Sz, S2):

 None, None

Charge, e:

 1

Chem-info

IUPAC name:

[(S)-[5-ethenyl-1-[(3-formyl-2-hydroxy-5-methylphenyl)methyl]-1-azoniabicyclo[2.2.2]octan-2-yl]-quinolin-4-ylmethyl] 4-methylbenzenesulfonate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N(C(CC=C)COC2=CC=CC=C2)C(=O)OC(C)(C)C

DOS

IR

Vibrations