Geometry & MOs

Info

ID:	284947
PubChem CID:	104084972
Reduced:	ClOSC9H17 (1)
Stoich.:	ABCD9E17 (1)
Weight, g/mol:	208.10525
ΔH_f, kcal/mol:	-77.22
Dipole, Da:	2.67
IP(EA), eV:	-8.86(0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(CSCC1CCOC1)CCl

DOS

IR

Vibrations