Geometry & MOs

Info

ID:

335011

PubChem CID:

127253817

Reduced:

N2O5H24C29 (1)

Stoich.:

A2B5C24D29 (1)

Weight, g/mol:

495.130946

ΔHf, kcal/mol:

-80.13

Dipole, Da:

5.74

IP(EA), eV:

 -8.62(-1.47)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1CCC2=C(C1)C(=C3C(=C2CN4C5=C(C6=CC=CC=C6C4=O)C(=O)C7=CC=CC=C75)OCO3)OC

DOS

IR

Vibrations