Geometry & MOs

Info

ID:	437842
PubChem CID:	135227128
Reduced:	BrFNSC11H13 (1)
Stoich.:	ABCDE11F13 (1)
Weight, g/mol:	292.95214
ΔH_f, kcal/mol:	10.29
Dipole, Da:	3.87
IP(EA), eV:	-9.01(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-bromo-4-fluorophenyl)-imino-(oxetan-3-yl)-oxo-lambda6-sulfane

Drug info:

PubChemData

Smile

C1CCC(C1)S(=N)C2=CC(=C(C=C2)F)Br

DOS

IR

Vibrations