Geometry & MOs

Info

ID:	373621
PubChem CID:	131317987
Reduced:	ClSN2H5C11 (1)
Stoich.:	ABC2D5E11 (1)
Weight, g/mol:	231.986197
ΔH_f, kcal/mol:	91.85
Dipole, Da:	2.1
IP(EA), eV:	-9.52(-1.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(chloromethyl)-1-benzothiophene-2,7-dicarbonitrile

Drug info:

PubChemData

Smile

C1=CC2=C(C=C1C#N)SC(=C2CCl)C#N

DOS

IR

Vibrations