Geometry & MOs

Info

ID:	22932
PubChem CID:	600022
Reduced:	OSN2H10C12 (1)
Stoich.:	ABC2D10E12 (1)
Weight, g/mol:	230.051384
ΔH_f, kcal/mol:	32.39
Dipole, Da:	4.3
IP(EA), eV:	-10.07(-2.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,5-dimethyl-7-oxo-4,6-dihydro-2-benzothiophene-1,3-dicarbonitrile

Drug info:

PubChemData

Smile

CC1(CC2=C(SC(=C2C(=O)C1)C#N)C#N)C

DOS

IR

Vibrations