Geometry & MOs

Info

ID:	374100
PubChem CID:	131323704
Reduced:	BrClNSH7C11 (1)
Stoich.:	ABCDE7F11 (1)
Weight, g/mol:	298.91711
ΔH_f, kcal/mol:	52.27
Dipole, Da:	2.04
IP(EA), eV:	-9.13(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(bromomethyl)-3-chloro-1-benzothiophen-4-yl]acetonitrile

Drug info:

PubChemData

Smile

C1=C(C=C(C2=C1SC(=C2)CBr)Cl)CC#N

DOS

IR

Vibrations