Geometry & MOs

Info

ID:	12165
PubChem CID:	131767
Reduced:	OSN2H6C7 (1)
Stoich.:	ABC2D6E7 (1)
Weight, g/mol:	166.020084
ΔH_f, kcal/mol:	27.75
Dipole, Da:	5.48
IP(EA), eV:	-10.25(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-oxo-4-(1,3-thiazol-4-yl)butanenitrile

Drug info:

PubChemData

Smile

C1=C(N=CS1)C(=O)CCC#N

DOS

IR

Vibrations