Geometry & MOs

Info

ID:	449754
PubChem CID:	135301197
Reduced:	SO2F3N6H19C26 (1)
Stoich.:	AB2C3D6E19F26 (1)
Weight, g/mol:	297.01295
ΔH_f, kcal/mol:	-16.91
Dipole, Da:	8.44
IP(EA), eV:	-9.7(-1.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-aminophenyl)sulfonylbenzenesulfinic acid

Drug info:

PubChemData

Smile

C1CCN(C1)C(=O)C2=CC=C(S2)C#CC3=CN=C(C=C3)C(C4(CN5C(=NN=N5)C6=C4C=CC(=C6)F)O)(F)F

DOS

IR

Vibrations