Geometry & MOs

Info

ID:

334046

PubChem CID:

127252598

Reduced:

N2O8H20C21 (1)

Stoich.:

A2B8C20D21 (1)

Weight, g/mol:

583.146991

ΔHf, kcal/mol:

-244.09

Dipole, Da:

4.85

IP(EA), eV:

 -8.75(-0.59)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1CCC2=C(C3=C(C(=C2C1=O)O)OCO3)CNC(=O)COC4=CC5=C(C=C4)OCO5

DOS

IR

Vibrations