Geometry & MOs

Info

ID:	380319
PubChem CID:	134970729
Reduced:	SO8C21H28 (1)
Stoich.:	AB8C21D28 (1)
Weight, g/mol:	314.118795
ΔH_f, kcal/mol:	-340.96
Dipole, Da:	3.09
IP(EA), eV:	-8.92(0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,5R)-2-ethylsulfanyl-6-(hydroxymethyl)-4-phenylmethoxyoxane-3,5-diol

Drug info:

PubChemData

Smile

CCS[C@H]1C(C([C@@H](C(O1)COC(=O)C)OC(=O)C)OCC2=CC=CC=C2)OC(=O)C

DOS

IR

Vibrations