Geometry & MOs

Info

ID:	402660
PubChem CID:	135056780
Reduced:	NOLi2C10H17 (1)
Stoich.:	ABC2D10E17 (1)
Weight, g/mol:	183.976505
ΔH_f, kcal/mol:	-75.69
Dipole, Da:	5.45
IP(EA), eV:	-7.34(1.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2Z)-2-(dithiazol-5-ylidene)-3-oxobutanenitrile

Drug info:

PubChemData

Smile

[Li+].[Li+].CCC/C(=C/C(=C)[N-]C(C)C)/[O-]

DOS

IR

Vibrations