Geometry & MOs

Info

ID:	124635
PubChem CID:	50890541
Reduced:	ClFNSO3H13C15 (1)
Stoich.:	ABCDE3F13G15 (1)
Weight, g/mol:	323.062757
ΔH_f, kcal/mol:	-126.31
Dipole, Da:	4.6
IP(EA), eV:	-9.79(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations