Geometry & MOs

Info

ID:	375377
PubChem CID:	131500142
Reduced:	BrFNSH7C11 (1)
Stoich.:	ABCDE7F11 (1)
Weight, g/mol:	282.94666
ΔH_f, kcal/mol:	18.18
Dipole, Da:	2.69
IP(EA), eV:	-9.1(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[6-(bromomethyl)-5-fluoro-1-benzothiophen-7-yl]acetonitrile

Drug info:

PubChemData

Smile

C1=CSC2=C1C(=C(C(=C2)CBr)F)CC#N

DOS

IR

Vibrations