Geometry & MOs

Info

ID:	446079
PubChem CID:	135272225
Reduced:	S2O3N4C26H26 (1)
Stoich.:	A2B3C4D26E26 (1)
Weight, g/mol:	318.076433
ΔH_f, kcal/mol:	-12.05
Dipole, Da:	4.5
IP(EA), eV:	-8.88(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-fluoro-1-[[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrimidine-2,4-dione

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C2=NN=C(C3=CC=CC=C32)SC4=CC(=CC(=N4)C)C)S(=O)(=O)N5CCOCC5

DOS

IR

Vibrations