Geometry & MOs

Info

ID:

334387

PubChem CID:

127252939

Reduced:

ClNF2O6H20C23 (1)

Stoich.:

ABC2D6E20F23 (1)

Weight, g/mol:

485.12413

ΔHf, kcal/mol:

-282.56

Dipole, Da:

5.82

IP(EA), eV:

 -9.06(-0.73)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,5'R)-7-chloro-3'-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)-4,6-dimethoxy-5'-methylspiro[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=CC=C4OC(F)F

DOS

IR

Vibrations