Geometry & MOs

Info

ID:	46006
PubChem CID:	10520363
Reduced:	ClSN2O2H9C16 (1)
Stoich.:	ABC2D2E9F16 (1)
Weight, g/mol:	329.044799
ΔH_f, kcal/mol:	6.49
Dipole, Da:	6.45
IP(EA), eV:	-8.92(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(2,5-dioxopyrrol-1-yl)benzoyl]-5-fluoropyrimidine-2,4-dione

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)N=C=S)C2=C(NC3=C(C2=O)C=CC(=C3)Cl)O

DOS

IR

Vibrations