Geometry & MOs

Info

ID:

184353

PubChem CID:

77150443

Reduced:

ClF2N4O5C36H43 (1)

Stoich.:

AB2C4D5E36F43 (1)

Weight, g/mol:

504.14493

ΔHf, kcal/mol:

-277.06

Dipole, Da:

8.05

IP(EA), eV:

 -8.54(-0.61)

Spin(Sz, S2):

 None, None

Charge, e:

 1

Chem-info

IUPAC name:

[1-[3-(1-methylimidazol-2-yl)sulfanylpropyl]-1-azoniabicyclo[2.2.2]octan-3-yl] 2-hydroxy-2,2-dithiophen-2-ylacetate

Drug info:

PubChemData

Smile

CCOC(=O)C1CCC(CC1)OC(C(=O)CC2=CC(=C(C=C2F)NC(=O)C3=CN(C4=CC=CC=C43)C)Cl)(N5CCCC5)N6CCC(C6)F

DOS

IR

Vibrations