Geometry & MOs

Info

ID:	250534
PubChem CID:	103097347
Reduced:	OSN2C8H8 (1)
Stoich.:	ABC2D8E8 (1)
Weight, g/mol:	248.098334
ΔH_f, kcal/mol:	27.07
Dipole, Da:	3.54
IP(EA), eV:	-10.12(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-2-methylpropanenitrile

Drug info:

PubChemData

Smile

CC(C)(C#N)C1=NC(=CS1)C=O

DOS

IR

Vibrations