Geometry & MOs

Info

ID:	138228
PubChem CID:	52331564
Reduced:	FO4N5H8C14 (1)
Stoich.:	AB4C5D8E14 (1)
Weight, g/mol:	341.05085
ΔH_f, kcal/mol:	7.71
Dipole, Da:	7.62
IP(EA), eV:	-10.39(-2.0)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(6Z)-5-amino-6-[(4-fluorophenyl)methylidene]-2-(furan-2-yl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-4-ium-7-one

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)N2C=NN=N2)C(=O)OC3=C(C=CC(=C3)F)[N+](=O)[O-]

DOS

IR

Vibrations