Geometry & MOs

Info

ID:

334775

PubChem CID:

127253450

Reduced:

O2H6C7 (4)

Stoich.:

A2B6C7 (4)

Weight, g/mol:

491.12817

ΔHf, kcal/mol:

-212.75

Dipole, Da:

4.83

IP(EA), eV:

 -8.36(-1.28)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)C2CC(=O)OC3=C2C4=C(C=C3)C(=O)/C(=C/C5=CC(=C(C=C5)OC)OC)/O4)OC

DOS

IR

Vibrations