Geometry & MOs

Info

ID:

307172

PubChem CID:

125275602

Reduced:

FO3N4C18H19 (1)

Stoich.:

AB3C4D18E19 (1)

Weight, g/mol:

973.352085

ΔHf, kcal/mol:

-103.83

Dipole, Da:

5.49

IP(EA), eV:

 -9.67(-1.34)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(2R,3R,4R,5S,6S)-3,4-diacetyloxy-5-(1,3-dioxoisoindol-2-yl)-6-[(2R,3S,4R,5S,6S)-2-(4-methoxyphenoxy)-3,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-4-yl]oxyoxan-2-yl]methyl acetate

Drug info:

PubChemData

Smile

C1CN(C(=O)N1)[C@@H](CC2=CC(=CC=C2)F)CNC(=O)[C@@H]3C=CC=NC3=O

DOS

IR

Vibrations