Geometry & MOs

Info

ID:	124643
PubChem CID:	50890835
Reduced:	BrINSO4H11C14 (1)
Stoich.:	ABCDE4F11G14 (1)
Weight, g/mol:	382.98269
ΔH_f, kcal/mol:	-85.42
Dipole, Da:	8.02
IP(EA), eV:	-9.43(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[N-(benzenesulfonyl)-3-bromoanilino]propanoic acid

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)N(CC(=O)O)S(=O)(=O)C2=CC=C(C=C2)Br)I

DOS

IR

Vibrations