Geometry & MOs

Info

ID:	21428
PubChem CID:	588191
Reduced:	OSN2C6H8 (1)
Stoich.:	ABC2D6E8 (1)
Weight, g/mol:	156.035734
ΔH_f, kcal/mol:	-6.85
Dipole, Da:	3.68
IP(EA), eV:	-9.29(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[amino(methylsulfanyl)methylidene]-3-oxobutanenitrile

Drug info:

PubChemData

Smile

CC(=O)C(=C(N)SC)C#N

DOS

IR

Vibrations