Geometry & MOs

Info

ID:	372876
PubChem CID:	131306490
Reduced:	ClSN2H9C11 (1)
Stoich.:	ABC2D9E11 (1)
Weight, g/mol:	236.017497
ΔH_f, kcal/mol:	50.6
Dipole, Da:	2.11
IP(EA), eV:	-8.54(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-amino-2-(chloromethyl)-1-benzothiophen-5-yl]acetonitrile

Drug info:

PubChemData

Smile

C1=CC(=C2C(=C1)SC(=C2N)CCl)CC#N

DOS

IR

Vibrations