Geometry & MOs

Info

ID:	24790
PubChem CID:	613438
Reduced:	ISN2O3H5C9 (1)
Stoich.:	ABC2D3E5F9 (1)
Weight, g/mol:	347.90656
ΔH_f, kcal/mol:	-16.45
Dipole, Da:	2.91
IP(EA), eV:	-9.52(-1.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(5-iodofuran-2-yl)methylidene]-2-sulfanyl-1H-pyrimidine-4,6-dione

Drug info:

PubChemData

Smile

C1=C(OC(=C1)I)C=C2C(=O)NC(=NC2=O)S

DOS

IR

Vibrations