Geometry & MOs

Info

ID:

163072

PubChem CID:

57588037

Reduced:

ClO2N3C26H26 (1)

Stoich.:

AB2C3D26E26 (1)

Weight, g/mol:

497.208134

ΔHf, kcal/mol:

-15.15

Dipole, Da:

7.64

IP(EA), eV:

 -9.41(-0.24)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R)-2-(4-chlorophenyl)-1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-[(2-oxo-2-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylethyl)amino]ethanone

Drug info:

PubChemData

Smile

C1CN(CCC12C3=CC=CC=C3CO2)C(=O)CNC(C4=CC=C(C=C4)Cl)C5=CC=NC=C5

DOS

IR

Vibrations