Geometry & MOs

Info

ID:	168233
PubChem CID:	74939074
Reduced:	SN2O4H19C23 (1)
Stoich.:	AB2C4D19E23 (1)
Weight, g/mol:	353.09376
ΔH_f, kcal/mol:	-25.55
Dipole, Da:	7.58
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.768368
Charge, e:	-1

Chem-info

IUPAC name:

1-[2-(4-fluorophenyl)ethyl]-5-[3-(furan-2-yl)prop-2-enylidene]-2,6-dioxopyrimidin-4-olate

Drug info:

PubChemData

Smile

CCCOC1=CC=C(C=C1)C(=C2C(N(C(=O)C2=O)C3=CC=CC=N3)C4=CC=CS4)[O-]

DOS

IR

Vibrations