Geometry & MOs

Info

ID:	124644
PubChem CID:	50890849
Reduced:	BrNSO4H14C15 (1)
Stoich.:	ABCD4E14F15 (1)
Weight, g/mol:	396.99834
ΔH_f, kcal/mol:	-117.56
Dipole, Da:	9.18
IP(EA), eV:	-9.74(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[N-(benzenesulfonyl)-3-bromoanilino]butanoic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations