Geometry & MOs

Info

ID:

170500

PubChem CID:

75242503

Reduced:

ClFNOH9C13 (1)

Stoich.:

ABCDE9F13 (1)

Weight, g/mol:

766.207312

ΔHf, kcal/mol:

-24.01

Dipole, Da:

4.77

IP(EA), eV:

-8.63(-1.27)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

[2-[[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-2,3-dihydrochromen-3-yl]oxy]-3-[3-(4-fluorophenyl)propanoyloxy]-5-hydroxy-6-(hydroxymethyl)oxan-4-yl] 3-(4-fluorophenyl)propanoate

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)NC=C2C=C(C=CC2=O)F)Cl

DOS

IR

Vibrations