Geometry & MOs

Info

ID:	124707
PubChem CID:	50893530
Reduced:	ClSF3N4O5H12C15 (1)
Stoich.:	ABC3D4E5F12G15 (1)
Weight, g/mol:	452.00567
ΔH_f, kcal/mol:	-217.13
Dipole, Da:	3.47
IP(EA), eV:	-9.85(-1.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-chloro-N-(3-nitrophenyl)sulfonyl-5-(trifluoromethyl)anilino]propanoic acid

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)S(=O)(=O)N(CC(=O)NN)C2=C(C=CC(=C2)C(F)(F)F)Cl)[N+](=O)[O-]

DOS

IR

Vibrations