Geometry & MOs

Info

ID:

47138

PubChem CID:

10529908

Reduced:

BrNSO5C24H24 (1)

Stoich.:

ABCD5E24F24 (1)

Weight, g/mol:

518.178812

ΔHf, kcal/mol:

-145.43

Dipole, Da:

7.2

IP(EA), eV:

 -9.5(-0.46)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(2S,3R,4S,5R,6R)-3-acetyloxy-5-hydroxy-2-[3-hydroxy-2-[3-(4-methoxyphenyl)propanoyl]phenoxy]-6-(hydroxymethyl)oxan-4-yl] acetate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N[C@@](C)([C@H](C2=CC=C(C=C2)Br)O)C(=O)OCC3=CC=CC=C3

DOS

IR

Vibrations