Geometry & MOs

Info

ID:	178289
PubChem CID:	76309215
Reduced:	F3N3O4H22C24 (1)
Stoich.:	A3B3C4D22E24 (1)
Weight, g/mol:	308.06532
ΔH_f, kcal/mol:	-224.33
Dipole, Da:	7.01
IP(EA), eV:	-8.97(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-6-phenylsulfanyl-1-propoxy-2-sulfanylidenepyrimidin-4-one

Drug info:

PubChemData

Smile

CC1=CC=CC=C1NC2=NC(=CC(=N2)OCC3=CC=CC=C3/C(=C\OC)/C(=O)OC)C(F)(F)F

DOS

IR

Vibrations