Geometry & MOs

Info

ID:

334062

PubChem CID:

127252614

Reduced:

N2O6H18C25 (1)

Stoich.:

A2B6C18D25 (1)

Weight, g/mol:

498.12275

ΔHf, kcal/mol:

-103.01

Dipole, Da:

2.9

IP(EA), eV:

 -8.57(-1.81)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,5'R)-7-chloro-4,6-dimethoxy-5'-methyl-3'-[(1-methylsulfonylpiperidin-4-yl)amino]spiro[1-benzofuran-2,6'-cyclohex-2-ene]-1',3-dione

Drug info:

PubChemData

Smile

COC1=C(C2=C(C=C1)C3=C(C4=CC=CC=C4C3=O)N(C2=O)NC5=CC=C(C=C5)C(=O)O)OC

DOS

IR

Vibrations