Geometry & MOs

Info

ID:	135921
PubChem CID:	51957046
Reduced:	Br2O2S2N4H9C14 (1)
Stoich.:	A2B2C2D4E9F14 (1)
Weight, g/mol:	389.027732
ΔH_f, kcal/mol:	75.92
Dipole, Da:	3.32
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.796331
Charge, e:	-1

Chem-info

IUPAC name:

(3,4-dimethoxyphenyl)sulfonyl-(2-fluoro-5-sulfamoylphenyl)azanide

Drug info:

PubChemData

Smile

C1=CC(=CC=C1NS(=O)(=O)C2=C(C=CC(=C2)Br)Br)SC3=NN=C[N-]3

DOS

IR

Vibrations