Geometry & MOs

Info

ID:	213925
PubChem CID:	81065556
Reduced:	BrNSO5C12H16 (1)
Stoich.:	ABCD5E12F16 (1)
Weight, g/mol:	324.994235
ΔH_f, kcal/mol:	-187.56
Dipole, Da:	8.04
IP(EA), eV:	-9.56(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(3,5-dichlorophenyl)sulfonylamino]-3-methylbutanoic acid

Drug info:

PubChemData

Smile

CC(CC(=O)O)CNS(=O)(=O)C1=C(C=CC(=C1)Br)OC

DOS

IR

Vibrations