Geometry & MOs

Info

ID:	249173
PubChem CID:	103087414
Reduced:	FNSCl2O4H8C9 (1)
Stoich.:	ABCD2E4F8G9 (1)
Weight, g/mol:	328.969162
ΔH_f, kcal/mol:	-196.87
Dipole, Da:	5.87
IP(EA), eV:	-10.32(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(2,4-dichloro-3-fluorophenyl)sulfonylamino]butanoic acid

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1S(=O)(=O)NCCC(=O)O)Cl)F)Cl

DOS

IR

Vibrations