Geometry & MOs

Info

ID:	213575
PubChem CID:	81064227
Reduced:	BrClNSO3C12H17 (1)
Stoich.:	ABCDE3F12G17 (1)
Weight, g/mol:	311.041664
ΔH_f, kcal/mol:	-112.92
Dipole, Da:	4.23
IP(EA), eV:	-8.83(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2-chloroethyl)-N-(2-ethoxyethyl)-N-methylthiophene-2-sulfonamide

Drug info:

PubChemData

Smile

CCOCCN(C)S(=O)(=O)C1=C(C=CC(=C1)CCl)Br

DOS

IR

Vibrations