Geometry & MOs

Info

ID:

223834

PubChem CID:

85335637

Reduced:

SN3O8C29H41 (1)

Stoich.:

AB3C8D29E41 (1)

Weight, g/mol:

592.179206

ΔHf, kcal/mol:

-317.73

Dipole, Da:

8.83

IP(EA), eV:

 -8.72(-0.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

7-[6-[(3,4-dihydroxy-5,6-dimethyloxan-2-yl)oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5-hydroxychromen-4-one

Drug info:

PubChemData

Smile

CC(C)CN(CC(C(CC1=CC=CC=C1)NC(=O)OC2CC3C(C2)OCO3)O)S(=O)(=O)C4=CC(=C(C=C4)NC)OC

DOS

IR

Vibrations