Geometry & MOs

Info

ID:	213443
PubChem CID:	81063732
Reduced:	ClNSO3C13H20 (1)
Stoich.:	ABCD3E13F20 (1)
Weight, g/mol:	233.181336
ΔH_f, kcal/mol:	-124.24
Dipole, Da:	4.15
IP(EA), eV:	-9.63(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations