Geometry & MOs

Info

ID:	338299
PubChem CID:	127258991
Reduced:	ClSO3C24H41 (1)
Stoich.:	ABC3D24E41 (1)
Weight, g/mol:	262.066365
ΔH_f, kcal/mol:	-198.47
Dipole, Da:	6.33
IP(EA), eV:	-10.34(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-methylphenyl)methyl benzenesulfonate

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCC(CCCOS(=O)(=O)C1=CC=CC=C1)Cl

DOS

IR

Vibrations