Geometry & MOs

Info

ID:	398645
PubChem CID:	135034535
Reduced:	SeO7C17H20 (1)
Stoich.:	AB7C17D20 (1)
Weight, g/mol:	454.129754
ΔH_f, kcal/mol:	-287.04
Dipole, Da:	6.62
IP(EA), eV:	-8.75(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3R,4S,5S)-3,4,5-triacetyloxy-6-(4-methylphenyl)sulfanyloxan-2-yl]methyl acetate

Drug info:

PubChemData

Smile

CC(=O)O[C@@H]1CO[C@H](C(C1OC(=O)C)OC(=O)C)[Se]C2=CC=CC=C2

DOS

IR

Vibrations