Geometry & MOs

Info

ID:	51837
PubChem CID:	12014590
Reduced:	FSO3N5H14C20 (1)
Stoich.:	ABC3D5E14F20 (1)
Weight, g/mol:	298.050218
ΔH_f, kcal/mol:	-85.9
Dipole, Da:	6.58
IP(EA), eV:	-8.84(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(4-fluorophenyl)-2,4,7-trioxo-1,8-dihydropyrido[2,3-d]pyrimidine-6-carbonitrile

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)N/C(=C/3\C(C4=C(NC(=O)NC4=O)N(C3=O)N)C5=CC=C(C=C5)F)/S2

DOS

IR

Vibrations