Geometry & MOs

Info

ID:	21480
PubChem CID:	588606
Reduced:	ClFNSO4H7C12 (1)
Stoich.:	ABCDE4F7G12 (1)
Weight, g/mol:	314.976835
ΔH_f, kcal/mol:	-83.48
Dipole, Da:	5.71
IP(EA), eV:	-10.72(-1.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-chloro-4-(4-fluorophenyl)sulfonyl-2-nitrobenzene

Drug info:

PubChemData

Smile

C1=CC(=CC=C1F)S(=O)(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

DOS

IR

Vibrations