Geometry & MOs

Info

ID:	373547
PubChem CID:	131316856
Reduced:	ClSN2H5C11 (1)
Stoich.:	ABC2D5E11 (1)
Weight, g/mol:	231.986197
ΔH_f, kcal/mol:	94.87
Dipole, Da:	1.07
IP(EA), eV:	-9.41(-1.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(chloromethyl)-1-benzothiophene-4,6-dicarbonitrile

Drug info:

PubChemData

Smile

C1=CC(=C2C(=C1C#N)C(=CS2)CCl)C#N

DOS

IR

Vibrations