Geometry & MOs

Info

ID:	27252
PubChem CID:	819917
Reduced:	ClN2O2H9C12 (1)
Stoich.:	AB2C2D9E12 (1)
Weight, g/mol:	152.999683
ΔH_f, kcal/mol:	-19.69
Dipole, Da:	1.57
IP(EA), eV:	-9.87(-1.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-oxo-2-sulfanylidene-1H-pyrimidine-5-carbonitrile

Drug info:

PubChemData

Smile

COC(=O)C1=CN=C(N=C1Cl)C2=CC=CC=C2

DOS

IR

Vibrations