Geometry & MOs

Info

ID:

168496

PubChem CID:

74978319

Reduced:

O21C35H38 (1)

Stoich.:

A21B35C38 (1)

Weight, g/mol:

622.18977

ΔHf, kcal/mol:

-840.35

Dipole, Da:

6.87

IP(EA), eV:

 -8.77(-1.22)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[4,5-dihydroxy-6-(hydroxymethyl)-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxy-5-hydroxy-7-methoxy-2-(4-methoxyphenyl)chromen-4-one

Drug info:

PubChemData

Smile

CC1C(C(C(C(O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC(=C(C(=C4)O)O)O)OC(=O)C)OC(=O)C)OC5C(C(C(C(O5)COC(=O)C)O)OC(=O)C)O

DOS

IR

Vibrations