Geometry & MOs

Info

ID:

334297

PubChem CID:

127252849

Reduced:

ClN2O7C25H25 (1)

Stoich.:

AB2C7D25E25 (1)

Weight, g/mol:

448.085971

ΔHf, kcal/mol:

-226.67

Dipole, Da:

4.63

IP(EA), eV:

 -8.97(-1.01)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@H]1CC(=CC(=O)[C@]12C(=O)C3=C(O2)C(=C(C=C3OC)OC)Cl)NC4=CC=C(C=C4)C(=O)NCCO

DOS

IR

Vibrations