Geometry & MOs

Info

ID:

335139

PubChem CID:

127254000

Reduced:

O7H14C22 (1)

Stoich.:

A7B14C22 (1)

Weight, g/mol:

567.152076

ΔHf, kcal/mol:

-182.31

Dipole, Da:

4.41

IP(EA), eV:

 -8.46(-0.83)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[5-[2-[[(2S,5'R)-7-chloro-4,6-dimethoxy-5'-methyl-3,3'-dioxospiro[1-benzofuran-2,4'-cyclohexene]-1'-yl]amino]phenyl]tetrazol-2-yl]butanoic acid

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=O)O1)C2=C(OC3=C2C(=O)OC(=C3)C)C4=CC5=CC=CC=C5O4)O

DOS

IR

Vibrations