Geometry & MOs

Info

ID:	284946
PubChem CID:	104084911
Reduced:	ClOSC13H19 (1)
Stoich.:	ABCD13E19 (1)
Weight, g/mol:	208.068864
ΔH_f, kcal/mol:	-51.84
Dipole, Da:	2.07
IP(EA), eV:	-8.79(0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(3-chloro-2-methylpropyl)sulfanylmethyl]oxolane

Drug info:

PubChemData

Smile

CC(CCCl)SCCCOC1=CC=CC=C1

DOS

IR

Vibrations