Geometry & MOs

Info

ID:	339026
PubChem CID:	127260037
Reduced:	SO3C21H36 (1)
Stoich.:	AB3C21D36 (1)
Weight, g/mol:	520.264731
ΔH_f, kcal/mol:	-175.76
Dipole, Da:	3.97
IP(EA), eV:	-10.24(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-oxo-1,2-diphenyltetradecan-2-yl) benzenesulfonate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations