Geometry & MOs

Info

ID:

150701

PubChem CID:

53790396

Reduced:

SF3N3O3H8C14 (1)

Stoich.:

AB3C3D3E8F14 (1)

Weight, g/mol:

773.192904

ΔHf, kcal/mol:

-185.08

Dipole, Da:

2.1

IP(EA), eV:

 -9.24(-1.37)

Spin(Sz, S2):

 None, None

Charge, e:

 1

Chem-info

IUPAC name:

(5R,6R)-6-[1,2-dihydroxy-4-[4-hydroxy-3-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]butyl]-2-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromenylium-3-yl]oxy-5-hydroxyoxane-3,4-dione

Drug info:

PubChemData

Smile

CN1C(=CC(=O)N(C1=O)C2=C3C(=CC=C2)SN=C3C=O)C(F)(F)F

DOS

IR

Vibrations