Geometry & MOs

Info

ID:	18358
PubChem CID:	539810
Reduced:	OSN2C11H12 (1)
Stoich.:	ABC2D11E12 (1)
Weight, g/mol:	220.067034
ΔH_f, kcal/mol:	-7.94
Dipole, Da:	8.36
IP(EA), eV:	-8.92(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-cyano-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)acetamide

Drug info:

PubChemData

Smile

CC(=O)NC1=C(SC2=C1CCCC2)C#N

DOS

IR

Vibrations