Geometry & MOs

Info

ID:	338993
PubChem CID:	127260004
Reduced:	SO3C22H38 (1)
Stoich.:	AB3C22D38 (1)
Weight, g/mol:	368.238516
ΔH_f, kcal/mol:	-180.62
Dipole, Da:	4.03
IP(EA), eV:	-10.24(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-methyl-3-propylundecan-2-yl) benzenesulfonate

Drug info:

PubChemData

Smile

CCCCCCCCC(CCC)CC(C)(C)OS(=O)(=O)C1=CC=CC=C1

DOS

IR

Vibrations