Geometry & MOs

Info

ID:	250537
PubChem CID:	103097355
Reduced:	OSN2C9H10 (1)
Stoich.:	ABC2D9E10 (1)
Weight, g/mol:	220.067034
ΔH_f, kcal/mol:	8.42
Dipole, Da:	4.69
IP(EA), eV:	-9.96(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-2-(4-oxo-6,7-dihydro-5H-1,3-benzothiazol-2-yl)propanenitrile

Drug info:

PubChemData

Smile

CC(=O)C1=CN=C(S1)C(C)(C)C#N

DOS

IR

Vibrations