Geometry & MOs

Info

ID:

161728

PubChem CID:

57392457

Reduced:

BrF2S3N5O7H22C28 (1)

Stoich.:

AB2C3D5E7F22G28 (1)

Weight, g/mol:

481.288875

ΔHf, kcal/mol:

-205.71

Dipole, Da:

5.88

IP(EA), eV:

 -9.31(-1.44)

Spin(Sz, S2):

 None, None

Charge, e:

 1

Chem-info

IUPAC name:

[(3R)-1-(4-phenylbutyl)-1-azoniabicyclo[2.2.2]octan-3-yl] (2R)-2-piperidin-1-yl-2-thiophen-2-ylpropanoate

Drug info:

PubChemData

Smile

C1=CC(=CC=C1CN(CC2=NC3=CC(=C(C=C3C=C2)Br)C(F)(F)S(=O)(=O)N)S(=O)(=O)C4=CC=C(C=C4)OCC(=O)O)C5=CSN=N5

DOS

IR

Vibrations