Geometry & MOs

Info

ID:	375318
PubChem CID:	131499930
Reduced:	BrSN2H5C11 (1)
Stoich.:	ABC2D5E11 (1)
Weight, g/mol:	275.93568
ΔH_f, kcal/mol:	109.08
Dipole, Da:	4.73
IP(EA), eV:	-9.4(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-4-(cyanomethyl)-1-benzothiophene-7-carbonitrile

Drug info:

PubChemData

Smile

C1=C(C=C(C2=C1C=C(S2)Br)C#N)CC#N

DOS

IR

Vibrations