Geometry & MOs

Info

ID:	268839
PubChem CID:	103601188
Reduced:	SO3C9H16 (1)
Stoich.:	AB3C9D16 (1)
Weight, g/mol:	212.050715
ΔH_f, kcal/mol:	-150.83
Dipole, Da:	4.05
IP(EA), eV:	-8.89(0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC(OC1)CSCCCC(=O)O

DOS

IR

Vibrations