Geometry & MOs

Info

ID:	202530
PubChem CID:	79682761
Reduced:	SO2C8H18 (1)
Stoich.:	AB2C8D18 (1)
Weight, g/mol:	282.165351
ΔH_f, kcal/mol:	-123.06
Dipole, Da:	3.88
IP(EA), eV:	-9.04(0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(4-tert-butyl-2,6-dimethylphenyl)methylsulfanyl]propane-1,2-diol

Drug info:

PubChemData

Smile

CCCCCSCC(CO)O

DOS

IR

Vibrations