Geometry & MOs

Info

ID:	2745
PubChem CID:	8442
Reduced:	SO3C18H28 (1)
Stoich.:	AB3C18D28 (1)
Weight, g/mol:	324.175916
ΔH_f, kcal/mol:	-116.27
Dipole, Da:	4.41
IP(EA), eV:	-8.4(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2-octylsulfinylpropyl)-1,3-benzodioxole

Drug info:

PubChemData

Smile

CCCCCCCCS(=O)C(C)CC1=CC2=C(C=C1)OCO2

DOS

IR

Vibrations