Geometry & MOs

Info

ID:	47027
PubChem CID:	10529019
Reduced:	SN2O4C28H28 (1)
Stoich.:	AB2C4D28E28 (1)
Weight, g/mol:	488.186645
ΔH_f, kcal/mol:	-55.71
Dipole, Da:	6.31
IP(EA), eV:	-8.68(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R,3S,4S,5R,6R)-5-benzoyloxy-3-hydroxy-2-(hydroxymethyl)-6-(2-trimethylsilylethoxy)oxan-4-yl] benzoate

Drug info:

PubChemData

Smile

C/C(=N\OC(C1CCCCC1)C2=CC3=C(S2)C=CC(=C3)OCC4=NC5=CC=CC=C5C=C4)/C(=O)O

DOS

IR

Vibrations