Geometry & MOs

Info

ID:

44951

PubChem CID:

10506788

Reduced:

F3N4O4C28H33 (1)

Stoich.:

A3B4C4D28E33 (1)

Weight, g/mol:

547.211234

ΔHf, kcal/mol:

-233.87

Dipole, Da:

5.23

IP(EA), eV:

 -8.4(-0.81)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R,3R,4S,5R,6R)-2-[(2R,3R,4R,5R,6S)-6-[(2R,3S,4R,5R,6R)-6-(2-aminoethoxy)-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol

Drug info:

PubChemData

Smile

C[C@@H]1CC[C@@H](N1CCCCCN2C3=CC=CC=C3OC(C2=O)C4=CC(=CC=C4)/C(=N/OC(=O)C(F)(F)F)/N)C

DOS

IR

Vibrations