Geometry & MOs

Info

ID:	258407
PubChem CID:	103153471
Reduced:	ClNSO5C11H14 (1)
Stoich.:	ABCD5E11F14 (1)
Weight, g/mol:	374.950177
ΔH_f, kcal/mol:	-189.35
Dipole, Da:	6.92
IP(EA), eV:	-9.93(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methoxy-4-[(2,4,6-trichlorophenyl)sulfonylamino]butanoic acid

Drug info:

PubChemData

Smile

COC(CC(=O)O)CNS(=O)(=O)C1=CC=CC=C1Cl

DOS

IR

Vibrations