Geometry & MOs

Info

ID:

305249

PubChem CID:

124767787

Reduced:

O4C7H8 (4)

Stoich.:

A4B7C8 (4)

Weight, g/mol:

624.169035

ΔHf, kcal/mol:

-617.79

Dipole, Da:

3.75

IP(EA), eV:

 -8.78(-1.07)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[(2S,3S,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5-hydroxy-7-methoxychromen-4-one

Drug info:

PubChemData

Smile

C[C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O[C@H]2[C@H]([C@H]([C@H](O[C@H]2OC3=C(OC4=CC(=CC(=C4C3=O)O)OC)C5=CC(=C(C=C5)O)O)CO)O)O)O)O)O

DOS

IR

Vibrations