Geometry & MOs

Info

ID:

220686

PubChem CID:

85202784

Reduced:

ClN2S2F7O11C19H28 (1)

Stoich.:

AB2C2D7E11F19G28 (1)

Weight, g/mol:

394.167078

ΔHf, kcal/mol:

-820.16

Dipole, Da:

9.87

IP(EA), eV:

 -10.92(-1.69)

Spin(Sz, S2):

 None, None

Charge, e:

 2

Chem-info

IUPAC name:

[4-acetyloxy-6-[4-(chloromethyl)-1,4-diazoniabicyclo[2.2.2]octan-1-yl]-5-fluoro-2-methyloxan-3-yl] acetate

Drug info:

PubChemData

Smile

CC1C(C(C(C(O1)[N+]23CC[N+](CC2)(CC3)CCl)F)OC(=O)C)OC(=O)C.C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-]

DOS

IR

Vibrations