Geometry & MOs

Info

ID:

335188

PubChem CID:

127254049

Reduced:

NO6C29H35 (1)

Stoich.:

AB6C29D35 (1)

Weight, g/mol:

481.140449

ΔHf, kcal/mol:

-169.1

Dipole, Da:

8.73

IP(EA), eV:

 -8.56(-0.22)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=O)C(=C(O1)C(CC(=O)N[C@H]2C3CCCC2C4=C(C3)CCCC4)C5=CC(=C(C=C5)O)OC)O

DOS

IR

Vibrations