Geometry & MOs

Info

ID:	124621
PubChem CID:	50889911
Reduced:	SN3O3C15H17 (1)
Stoich.:	AB3C3D15E17 (1)
Weight, g/mol:	396.99834
ΔH_f, kcal/mol:	-55.21
Dipole, Da:	6.03
IP(EA), eV:	-8.86(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(N-(4-bromophenyl)sulfonyl-3-methylanilino)propanoic acid

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N(CC(=O)NN)S(=O)(=O)C2=CC=CC=C2

DOS

IR

Vibrations