Geometry & MOs

Info

ID:

334863

PubChem CID:

127253669

Reduced:

ClSN2O5C22H23 (1)

Stoich.:

ABC2D5E22F23 (1)

Weight, g/mol:

469.129215

ΔHf, kcal/mol:

-146.74

Dipole, Da:

4.53

IP(EA), eV:

 -8.83(-0.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,5'R)-7-chloro-3'-(2,3-dihydro-1-benzofuran-2-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)NCCC4=NC(=CS4)C

DOS

IR

Vibrations