Geometry & MOs

Info

ID:	284928
PubChem CID:	104084265
Reduced:	ClSN2C11H19 (1)
Stoich.:	ABC2D11E19 (1)
Weight, g/mol:	196.068864
ΔH_f, kcal/mol:	-1.87
Dipole, Da:	5.33
IP(EA), eV:	-8.6(0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-chloropropylsulfanyl)-3-ethoxypropane

Drug info:

PubChemData

Smile

CCC(C)N1C=CC(=N1)CSCCCCl

DOS

IR

Vibrations