Geometry & MOs

Info

ID:	374431
PubChem CID:	131329344
Reduced:	BrINSH7C11 (1)
Stoich.:	ABCDE7F11 (1)
Weight, g/mol:	390.85273
ΔH_f, kcal/mol:	80.67
Dipole, Da:	2.62
IP(EA), eV:	-9.1(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CSC2=C1C(=C(C(=C2)CBr)I)CC#N

DOS

IR

Vibrations