Geometry & MOs

Info

ID:	222431
PubChem CID:	85300724
Reduced:	SN2O6C13H18 (1)
Stoich.:	AB2C6D13E18 (1)
Weight, g/mol:	328.152203
ΔH_f, kcal/mol:	-264.05
Dipole, Da:	5.82
IP(EA), eV:	-9.11(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(hydroxymethyl)-6-[5-(hydroxymethyl)-2-propan-2-ylphenoxy]oxane-3,4,5-triol

Drug info:

PubChemData

Smile

CC(=O)OCC1C(CC(O1)N2CCC(=S)NC2=O)OC(=O)C

DOS

IR

Vibrations