Geometry & MOs

Info

ID:

181949

PubChem CID:

76819030

Reduced:

FN2O7C40H43 (1)

Stoich.:

AB2C7D40E43 (1)

Weight, g/mol:

499.242412

ΔHf, kcal/mol:

-277.33

Dipole, Da:

10.15

IP(EA), eV:

 -9.03(-0.7)

Spin(Sz, S2):

 None, None

Charge, e:

 2

Chem-info

IUPAC name:

(2-chlorospiro[5,6-dihydro-4H-1,3-benzothiazol-3-ium-7,4'-pyrrolidin-1-ium]-3'-yl)-(2-cyclohexyl-4-phenylpiperidin-1-yl)methanone

Drug info:

PubChemData

Smile

CCCCCCCOC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)CC(C(=O)C)NC(=O)C3=CC=C(C=C3)NC(=O)CC4=C(C=CC(=C4)F)OC

DOS

IR

Vibrations