Geometry & MOs

Info

ID:	374432
PubChem CID:	131329348
Reduced:	BrINSH7C11 (1)
Stoich.:	ABCDE7F11 (1)
Weight, g/mol:	390.85273
ΔH_f, kcal/mol:	80.73
Dipole, Da:	3.49
IP(EA), eV:	-9.08(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CSC2=C(C(=C(C=C21)I)CC#N)CBr

DOS

IR

Vibrations