Geometry & MOs

Info

ID:

334446

PubChem CID:

127252998

Reduced:

O10H22C31 (1)

Stoich.:

A10B22C31 (1)

Weight, g/mol:

517.113959

ΔHf, kcal/mol:

-282.37

Dipole, Da:

4.48

IP(EA), eV:

 -8.48(-1.03)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)C=C(C=C2)C3=C(C4=C(O3)C=C(C5=C4OC(=C(C5=O)O)C6=CC(=C(C=C6)O)O)O)CC(=O)OC

DOS

IR

Vibrations