Geometry & MOs

Info

ID:

222829

PubChem CID:

85332664

Reduced:

F3O3N4C29H39 (1)

Stoich.:

A3B3C4D29E39 (1)

Weight, g/mol:

550.09587

ΔHf, kcal/mol:

-236.68

Dipole, Da:

4.23

IP(EA), eV:

 -8.53(-0.78)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[6-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3-oxopropanoic acid

Drug info:

PubChemData

Smile

CCC(C1=CC=C(C=C1)OC(F)(F)F)N2CCN(CC2C)C3(CCN(CC3)C(=O)C4=C(C=C[N+](=C4C)[O-])C)C

DOS

IR

Vibrations