Geometry & MOs

Info

ID:

394575

PubChem CID:

135023249

Reduced:

O5C10H14 (3)

Stoich.:

A5B10C14 (3)

Weight, g/mol:

492.147906

ΔHf, kcal/mol:

-667.93

Dipole, Da:

4.49

IP(EA), eV:

 -9.84(-0.97)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-hydroxy-6-methyl-4-[(4S)-3,4,5-trihydroxy-6-[[(4S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxybenzoic acid

Drug info:

PubChemData

Smile

C[C@H]1CCCC(=O)CCC/C=C/C2=C(C(=CC(=C2)OC3C([C@H](C(C(O3)COC4C([C@H](C(C(O4)CO)O)O)O)O)O)O)O)C(=O)O1

DOS

IR

Vibrations