Geometry & MOs

Info

ID:

334615

PubChem CID:

127253290

Reduced:

N2O3H20C24 (1)

Stoich.:

A2B3C20D24 (1)

Weight, g/mol:

539.120776

ΔHf, kcal/mol:

-10.36

Dipole, Da:

3.51

IP(EA), eV:

 -8.78(-1.62)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[5-[4-[[(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]acetic acid

Drug info:

PubChemData

Smile

CN(C)C(CN1C2=C(C3=CC=CC=C3C1=O)C(=O)C4=CC=CC=C42)C5=CC=CO5

DOS

IR

Vibrations