Geometry & MOs

Info

ID:	139564
PubChem CID:	52558391
Reduced:	FSN2O3H15C18 (1)
Stoich.:	ABC2D3E15F18 (1)
Weight, g/mol:	409.073242
ΔH_f, kcal/mol:	-82.29
Dipole, Da:	1.84
IP(EA), eV:	-9.1(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1,3-dioxoisoindol-2-yl)methyl 2-(furan-2-yl)-4-methyl-6-methylsulfanylpyrimidine-5-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C(=NC(=N1)C2=CC=CO2)SC)C(=O)OCC3=CC(=CC=C3)F

DOS

IR

Vibrations