Geometry & MOs

Info

ID:	22850
PubChem CID:	599108
Reduced:	OSCl2N3H5C11 (1)
Stoich.:	ABC2D3E5F11 (1)
Weight, g/mol:	296.953038
ΔH_f, kcal/mol:	37.68
Dipole, Da:	9.1
IP(EA), eV:	-10.27(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(2,4-dichlorophenyl)-4-oxo-2-sulfanyl-1H-pyrimidine-5-carbonitrile

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1Cl)Cl)C2=C(C(=O)N=C(N2)S)C#N

DOS

IR

Vibrations