Geometry & MOs

Info

ID:

15493

PubChem CID:

442616

Reduced:

O7H11C12 (2)

Stoich.:

A7B11C12 (2)

Weight, g/mol:

534.100955

ΔHf, kcal/mol:

-522.28

Dipole, Da:

11.46

IP(EA), eV:

 -8.94(-1.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[[(2R,3S,4S,5R,6S)-6-[2-(3,4-dihydroxyphenyl)-4-hydroxy-5-oxochromen-7-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-3-oxopropanoic acid

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1C2=CC(=C3C(=CC(=CC3=O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)COC(=O)CC(=O)O)O)O)O)O2)O)O)O

DOS

IR

Vibrations