Geometry & MOs

Info

ID:	249193
PubChem CID:	103087621
Reduced:	FNSCl2O4H10C11 (1)
Stoich.:	ABCD2E4F10G11 (1)
Weight, g/mol:	357.000463
ΔH_f, kcal/mol:	-175.82
Dipole, Da:	5.91
IP(EA), eV:	-10.6(-1.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(2,4-dichloro-3-fluorophenyl)sulfonyl-ethylamino]-2-methylpropanoic acid

Drug info:

PubChemData

Smile

C1CC1C(C(=O)O)NS(=O)(=O)C2=C(C(=C(C=C2)Cl)F)Cl

DOS

IR

Vibrations