Geometry & MOs

Info

ID:	375316
PubChem CID:	131499924
Reduced:	BrSN2H5C11 (1)
Stoich.:	ABC2D5E11 (1)
Weight, g/mol:	275.93568
ΔH_f, kcal/mol:	111.4
Dipole, Da:	6.04
IP(EA), eV:	-9.4(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-7-(cyanomethyl)-1-benzothiophene-6-carbonitrile

Drug info:

PubChemData

Smile

C1=CC(=C2C(=C1)SC(=C2C#N)Br)CC#N

DOS

IR

Vibrations