Geometry & MOs

Info

ID:	338994
PubChem CID:	127260005
Reduced:	SO3C21H36 (1)
Stoich.:	AB3C21D36 (1)
Weight, g/mol:	282.09258
ΔH_f, kcal/mol:	-172.57
Dipole, Da:	4.04
IP(EA), eV:	-10.23(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-ethenyl-3-ethyloxetan-3-yl)methyl benzenesulfonate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations