Geometry & MOs

Info

ID:	371813
PubChem CID:	131272418
Reduced:	ClN2O2S2H7C8 (1)
Stoich.:	AB2C2D2E7F8 (1)
Weight, g/mol:	179.069477
ΔH_f, kcal/mol:	-26.05
Dipole, Da:	5.82
IP(EA), eV:	-9.54(-1.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(6-ethyl-2,4-dioxo-1H-pyrimidin-5-yl)acetonitrile

Drug info:

PubChemData

Smile

C1=C(C=C(C(=C1C#N)S)S(=O)(=O)Cl)CN

DOS

IR

Vibrations