Geometry & MOs

Info

ID:	213374
PubChem CID:	81063565
Reduced:	NSCl2O3C13H19 (1)
Stoich.:	ABC2D3E13F19 (1)
Weight, g/mol:	177.118735
ΔH_f, kcal/mol:	-130.72
Dipole, Da:	4.04
IP(EA), eV:	-9.54(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-ethoxyethyl(methyl)amino]propane-1-thiol

Drug info:

PubChemData

Smile

CC(C)OCCN(C)S(=O)(=O)C1=C(C=CC(=C1)CCl)Cl

DOS

IR

Vibrations