Geometry & MOs

Info

ID:	57229
PubChem CID:	22395512
Reduced:	OC11H21 (2)
Stoich.:	AB11C21 (2)
Weight, g/mol:	398.249081
ΔH_f, kcal/mol:	-181.3
Dipole, Da:	4.94
IP(EA), eV:	-10.59(0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-hexadecyl-6-hydroxybenzenesulfonic acid

Drug info:

PubChemData

Smile

CCCCCCCCC1CCCC1(CCCCCCCC)C(=O)O

DOS

IR

Vibrations