Geometry & MOs

Info

ID:	124713
PubChem CID:	50893620
Reduced:	BrClNSF3O4H14C17 (1)
Stoich.:	ABCDE3F4G14H17 (1)
Weight, g/mol:	347.119129
ΔH_f, kcal/mol:	-285.56
Dipole, Da:	8.28
IP(EA), eV:	-10.14(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[N-(benzenesulfonyl)-2-propan-2-ylanilino]propanoic acid

Drug info:

PubChemData

Smile

C1=CC(=CC=C1S(=O)(=O)N(CCCC(=O)O)C2=C(C=CC(=C2)C(F)(F)F)Cl)Br

DOS

IR

Vibrations