Geometry & MOs

Info

ID:

170351

PubChem CID:

75219979

Reduced:

SN3O6C29H29 (1)

Stoich.:

AB3C6D29E29 (1)

Weight, g/mol:

870.3674

ΔHf, kcal/mol:

-187.81

Dipole, Da:

6.78

IP(EA), eV:

 -8.72(-1.35)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[6-[[6-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-4,5-dihydroxy-2-methyloxan-3-yl] octadeca-9,12,15-trienoate

Drug info:

PubChemData

Smile

CCOC(=O)CCC1=C(NC2=C1C(=O)CCCC2)C=C3C4=C(C=CC(=C4)NS(=O)(=O)C5=CC=CC=C5)NC3=O

DOS

IR

Vibrations