Geometry & MOs

Info

ID:	339027
PubChem CID:	127260038
Reduced:	SO4C32H40 (1)
Stoich.:	AB4C32D40 (1)
Weight, g/mol:	292.07693
ΔH_f, kcal/mol:	-130.83
Dipole, Da:	4.57
IP(EA), eV:	-9.4(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-hydroxyphenyl)propan-2-yl benzenesulfonate

Drug info:

PubChemData

Smile

CCCCCCCCCCCCC(C1=CC=CC=C1)(C(=O)C2=CC=CC=C2)OS(=O)(=O)C3=CC=CC=C3

DOS

IR

Vibrations