Geometry & MOs

Info

ID:	437756
PubChem CID:	135226985
Reduced:	SF2N3O3H21C24 (1)
Stoich.:	AB2C3D3E21F24 (1)
Weight, g/mol:	311.96198
ΔH_f, kcal/mol:	-80.33
Dipole, Da:	1.96
IP(EA), eV:	-8.34(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-1-fluoro-4-(4-methylphenyl)sulfinylbenzene

Drug info:

PubChemData

Smile

CN1C=C(C2=C(C1=O)NC=C2)C3=C(C=CC(=C3)S(=N)(=O)CC4CC4)OC5=C(C=C(C=C5)F)F

DOS

IR

Vibrations