Geometry & MOs

Info

ID:	288518
PubChem CID:	104318418
Reduced:	SO2C6H14 (1)
Stoich.:	AB2C6D14 (1)
Weight, g/mol:	212.087101
ΔH_f, kcal/mol:	-115.65
Dipole, Da:	1.41
IP(EA), eV:	-8.9(0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-(hydroxymethyl)phenyl]sulfanylbutan-2-ol

Drug info:

PubChemData

Smile

CC(CCSCCO)O

DOS

IR

Vibrations