Geometry & MOs

Info

ID:	250981
PubChem CID:	103100569
Reduced:	ClNS2O4C9H12 (1)
Stoich.:	ABC2D4E9F12 (1)
Weight, g/mol:	325.020928
ΔH_f, kcal/mol:	-147.09
Dipole, Da:	6.08
IP(EA), eV:	-9.54(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[(5-chloro-4-methylthiophen-2-yl)sulfonyl-ethylamino]propanoate

Drug info:

PubChemData

Smile

CCOC(=O)CNS(=O)(=O)C1=CC(=C(S1)Cl)C

DOS

IR

Vibrations