Geometry & MOs

Info

ID:	375380
PubChem CID:	131500145
Reduced:	BrFNSH7C11 (1)
Stoich.:	ABCDE7F11 (1)
Weight, g/mol:	282.94666
ΔH_f, kcal/mol:	17.13
Dipole, Da:	3.68
IP(EA), eV:	-8.99(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CSC2=C(C(=C(C=C21)CBr)CC#N)F

DOS

IR

Vibrations