Geometry & MOs

Info

ID:

334480

PubChem CID:

127253155

Reduced:

ClN3O6C21H22 (1)

Stoich.:

AB3C6D21E22 (1)

Weight, g/mol:

495.130946

ΔHf, kcal/mol:

-151.42

Dipole, Da:

7.16

IP(EA), eV:

 -8.85(-0.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,5'R)-7-chloro-4,6-dimethoxy-5'-methyl-3'-[2-(2H-tetrazol-5-ylmethyl)anilino]spiro[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(=NO4)C

DOS

IR

Vibrations