Geometry & MOs

Info

ID:

141920

PubChem CID:

52952616

Reduced:

SO2F3N3C16H18 (1)

Stoich.:

AB2C3D3E16F18 (1)

Weight, g/mol:

652.16395

ΔHf, kcal/mol:

-176.05

Dipole, Da:

3.86

IP(EA), eV:

 -9.36(-1.08)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(2S,3R,4S,5S,6R)-2-[2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-7-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] acetate

Drug info:

PubChemData

Smile

CC(CC(F)(F)F)C(=O)N1CCC(CC1)C2=NC(=NO2)C3=CC=CS3

DOS

IR

Vibrations