Geometry & MOs

Info

ID:

334864

PubChem CID:

127253670

Reduced:

ClNO6H24C25 (1)

Stoich.:

ABC6D24E25 (1)

Weight, g/mol:

478.187064

ΔHf, kcal/mol:

-179.57

Dipole, Da:

5.92

IP(EA), eV:

 -8.87(-0.41)

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-2-morpholin-4-ylpropyl)amino]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)NCC4CC5=CC=CC=C5O4

DOS

IR

Vibrations