Geometry & MOs

Info

ID:

124940

PubChem CID:

50904884

Reduced:

NO6C8H13 (1)

Stoich.:

AB6C8D13 (1)

Weight, g/mol:

504.169035

ΔHf, kcal/mol:

-262.01

Dipole, Da:

3.0

IP(EA), eV:

 -9.09(0.22)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R,3R,4R,5S,6R)-6-ethyl-5-[(2R,3R,4R,5S,6S)-5-[(2R,3R,4R,5S,6R)-6-hydroperoxy-3,4,5-trihydroxyoxan-2-yl]oxy-3,4-dihydroxy-6-methoxyoxan-2-yl]oxyoxane-2,3,4-triol

Drug info:

PubChemData

Smile

CC(=O)N[C@H]1[C@@H](O[C@@H](C(=C1O)O)CO)O

DOS

IR

Vibrations