Geometry & MOs

Info

ID:

302299

PubChem CID:

124361153

Reduced:

NO10C24H25 (1)

Stoich.:

AB10C24D25 (1)

Weight, g/mol:

487.147846

ΔHf, kcal/mol:

-325.73

Dipole, Da:

6.54

IP(EA), eV:

 -8.53(-1.22)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R,3S)-3-hydroxy-2-[[2-[[(2E)-3-oxo-2-[(3,4,5-trimethoxyphenyl)methylidene]-1-benzofuran-6-yl]oxy]acetyl]amino]butanoic acid

Drug info:

PubChemData

Smile

C[C@H]([C@H](C(=O)O)NC(=O)COC1=CC2=C(C=C1)C(=O)/C(=C\C3=CC(=C(C(=C3)OC)OC)OC)/O2)O

DOS

IR

Vibrations