Geometry & MOs

Info

ID:	124616
PubChem CID:	50889816
Reduced:	ClFNSO3H15C16 (1)
Stoich.:	ABCDE3F15G16 (1)
Weight, g/mol:	305.048857
ΔH_f, kcal/mol:	-135.42
Dipole, Da:	4.87
IP(EA), eV:	-9.46(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-chloro-N-ethylsulfonylanilino)butanoic acid

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N(C(C)C(=O)Cl)S(=O)(=O)C2=CC=C(C=C2)F

DOS

IR

Vibrations