Geometry & MOs

Info

ID:	204871
PubChem CID:	80024193
Reduced:	SO2C16H18 (1)
Stoich.:	AB2C16D18 (1)
Weight, g/mol:	224.123486
ΔH_f, kcal/mol:	-32.96
Dipole, Da:	2.23
IP(EA), eV:	-8.37(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-5-(4-methylphenoxy)pentane-1-thiol

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)OCC(CS)C2=CC=CC=C2

DOS

IR

Vibrations