Geometry & MOs

Info

ID:	373622
PubChem CID:	131317989
Reduced:	ClSN2H5C11 (1)
Stoich.:	ABC2D5E11 (1)
Weight, g/mol:	231.986197
ΔH_f, kcal/mol:	92.59
Dipole, Da:	5.06
IP(EA), eV:	-9.53(-1.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=C(C=C(C2=C1C=C(S2)C#N)C#N)CCl

DOS

IR

Vibrations