Geometry & MOs

Info

ID:	229306
PubChem CID:	87567379
Reduced:	FOSN3C21H24 (1)
Stoich.:	ABCD3E21F24 (1)
Weight, g/mol:	226.105253
ΔH_f, kcal/mol:	15.29
Dipole, Da:	5.97
IP(EA), eV:	-9.01(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-(2,3-dihydroxypropoxy)-2-hydroxyethoxy]propane-1,2-diol

Drug info:

PubChemData

Smile

CN1C(=CC=N1)/C=C\2/CN(CCC2S)C(C3=CC=CC=C3F)C(=O)C4CC4

DOS

IR

Vibrations