Geometry & MOs

Info

ID:	132840
PubChem CID:	51430401
Reduced:	ClNSO2F3H6C12 (1)
Stoich.:	ABCD2E3F6G12 (1)
Weight, g/mol:	298.010481
ΔH_f, kcal/mol:	-132.82
Dipole, Da:	4.47
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.139148
Charge, e:	-1

Chem-info

IUPAC name:

(3-chlorophenyl)sulfonyl-(5-fluoro-2-methylphenyl)azanide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations