Geometry & MOs

Info

ID:	204498
PubChem CID:	79973231
Reduced:	OSC7H10 (2)
Stoich.:	ABC7D10 (2)
Weight, g/mol:	325.084007
ΔH_f, kcal/mol:	-80.97
Dipole, Da:	3.14
IP(EA), eV:	-8.69(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1,4-dithian-2-yl)-2-(1-methylsulfonylpiperidin-3-yl)ethanol

Drug info:

PubChemData

Smile

CCCOC1=CC=C(C=C1)C(C2CSCCS2)O

DOS

IR

Vibrations