Geometry & MOs

Info

ID:

168819

PubChem CID:

75022818

Reduced:

F3N3O3H30C35 (1)

Stoich.:

A3B3C3D30E35 (1)

Weight, g/mol:

498.242653

ΔHf, kcal/mol:

-192.37

Dipole, Da:

4.73

IP(EA), eV:

 -8.86(-0.83)

Spin(Sz, S2):

 None, None

Charge, e:

 1

Chem-info

IUPAC name:

[1-[[1-(1,1-dioxospiro[2H-1-benzothiophene-3,4'-piperidine]-1'-yl)-1-oxo-5-phenylpentan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]azanium

Drug info:

PubChemData

Smile

C1CCN(C1)C(=O)C(C2=CC=CC=C2)NC(=O)C3=CC4=C(C=C3)N(CC4)C(=O)C5=CC=CC=C5C6=CC=C(C=C6)C(F)(F)F

DOS

IR

Vibrations