Geometry & MOs

Info

ID:	67677
PubChem CID:	46506948
Reduced:	F2O2N4H6C11 (1)
Stoich.:	A2B2C4D6E11 (1)
Weight, g/mol:	315.067762
ΔH_f, kcal/mol:	-75.53
Dipole, Da:	3.52
IP(EA), eV:	-9.18(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-oxo-7-phenyl-2-sulfanylidene-1,5-dihydropyrrolo[3,2-d]pyrimidin-3-yl)propanoic acid

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1N2C=CN3C(=NNC3=O)C2=O)F)F

DOS

IR

Vibrations