Geometry & MOs

Info

ID:	339015
PubChem CID:	127260026
Reduced:	SO3C17H28 (1)
Stoich.:	AB3C17D28 (1)
Weight, g/mol:	339.092915
ΔH_f, kcal/mol:	-148.55
Dipole, Da:	4.56
IP(EA), eV:	-10.32(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-methyl-2-phenylanilino) benzenesulfonate

Drug info:

PubChemData

Smile

CCCCCCC(C)CCCOS(=O)(=O)C1=CC=CC=C1

DOS

IR

Vibrations