Geometry & MOs

Info

ID:	124636
PubChem CID:	50890584
Reduced:	FNSO4H14C15 (1)
Stoich.:	ABCD4E14F15 (1)
Weight, g/mol:	337.078407
ΔH_f, kcal/mol:	-165.05
Dipole, Da:	4.87
IP(EA), eV:	-9.16(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations