Geometry & MOs

Info

ID:	269767
PubChem CID:	103618975
Reduced:	ClISN3H7C9 (1)
Stoich.:	ABCD3E7F9 (1)
Weight, g/mol:	329.93238
ΔH_f, kcal/mol:	84.57
Dipole, Da:	3.51
IP(EA), eV:	-8.68(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(4-iodophenyl)-2-sulfanylidene-1H-pyrimidin-4-one

Drug info:

PubChemData

Smile

CN1C(=NNC1=S)C2=CC(=C(C=C2)I)Cl

DOS

IR

Vibrations