Geometry & MOs

Info

ID:

376691

PubChem CID:

134222714

Reduced:

N2F6O6C25H28 (1)

Stoich.:

A2B6C6D25E28 (1)

Weight, g/mol:

496.194462

ΔHf, kcal/mol:

-564.11

Dipole, Da:

3.0

IP(EA), eV:

 -9.39(-0.75)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(1S,3R,5S,8R)-3-hydroxy-2,5,8-trimethyl-7-oxo-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-oxabicyclo[3.2.1]octan-1-yl]methyl benzoate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC1=C(C=CC=C1O)C(C2=C(C(=CC=C2)O)NC(=O)OC(C)(C)C)(C(F)(F)F)C(F)(F)F

DOS

IR

Vibrations