Geometry & MOs

Info

ID:	437841
PubChem CID:	135227127
Reduced:	BrNOSF2H8C14 (1)
Stoich.:	ABCDE2F8G14 (1)
Weight, g/mol:	288.99361
ΔH_f, kcal/mol:	-40.02
Dipole, Da:	1.26
IP(EA), eV:	-9.44(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-bromo-4-fluorophenyl)-cyclopentyl-imino-lambda4-sulfane

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1F)F)OC2=C(C=C(C=C2)SCC#N)Br

DOS

IR

Vibrations