Geometry & MOs

Info

ID:	375314
PubChem CID:	131499918
Reduced:	BrSN2H5C11 (1)
Stoich.:	ABC2D5E11 (1)
Weight, g/mol:	275.93568
ΔH_f, kcal/mol:	109.03
Dipole, Da:	3.94
IP(EA), eV:	-9.43(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-6-(cyanomethyl)-1-benzothiophene-3-carbonitrile

Drug info:

PubChemData

Smile

C1=CC(=C2C=C(SC2=C1CC#N)Br)C#N

DOS

IR

Vibrations