Geometry & MOs

Info

ID:	124777
PubChem CID:	50895647
Reduced:	NSCl2O3H15C16 (1)
Stoich.:	ABC2D3E15F16 (1)
Weight, g/mol:	393.141008
ΔH_f, kcal/mol:	-94.87
Dipole, Da:	4.64
IP(EA), eV:	-9.73(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2,6-diethyl-N-(4-fluorophenyl)sulfonylanilino)butanoic acid

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1Cl)N(C(C)C(=O)Cl)S(=O)(=O)C2=CC=CC=C2

DOS

IR

Vibrations