Geometry & MOs

Info

ID:	375378
PubChem CID:	131500143
Reduced:	BrFNSH7C11 (1)
Stoich.:	ABCDE7F11 (1)
Weight, g/mol:	282.94666
ΔH_f, kcal/mol:	16.93
Dipole, Da:	3.02
IP(EA), eV:	-9.13(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations