Geometry & MOs

Info

ID:

232061

PubChem CID:

87575344

Reduced:

OSeN2C10H10 (1)

Stoich.:

ABC2D10E10 (1)

Weight, g/mol:

952.343237

ΔHf, kcal/mol:

10.51

Dipole, Da:

5.4

IP(EA), eV:

 -9.2(-0.84)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(2S,3S,4R,5R,6R)-3,4,5-triacetyloxy-6-[3-[2-(hydroxymethyl)-2-(prop-2-enoxymethyl)-3-[3-[(2R,3R,4R,5S,6S)-3,4,5-triacetyloxy-6-(acetyloxymethyl)thian-2-yl]propoxy]propoxy]propyl]thian-2-yl]methyl acetate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C[C@@H]2C(=O)N=C([Se]2)N

DOS

IR

Vibrations