Geometry & MOs

Info

ID:	19470
PubChem CID:	564497
Reduced:	SO3C26H38 (1)
Stoich.:	AB3C26D38 (1)
Weight, g/mol:	430.254166
ΔH_f, kcal/mol:	-116.29
Dipole, Da:	4.78
IP(EA), eV:	-9.34(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

13-(benzenesulfonyl)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraen-1-ol

Drug info:

PubChemData

Smile

CC(=CC(CC(=CCCC(=CCCC(=CCO)C)C)C)S(=O)(=O)C1=CC=CC=C1)C

DOS

IR

Vibrations