Geometry & MOs

Info

ID:	373623
PubChem CID:	131317991
Reduced:	ClSN2H5C11 (1)
Stoich.:	ABC2D5E11 (1)
Weight, g/mol:	231.986197
ΔH_f, kcal/mol:	92.44
Dipole, Da:	5.18
IP(EA), eV:	-9.48(-1.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC(=C2C(=C1)C(=C(S2)C#N)CCl)C#N

DOS

IR

Vibrations