Geometry & MOs

Info

ID:	307845
PubChem CID:	125309835
Reduced:	S2N3O4H21C24 (1)
Stoich.:	A2B3C4D21E24 (1)
Weight, g/mol:	360.071468
ΔH_f, kcal/mol:	-2.88
Dipole, Da:	8.77
IP(EA), eV:	-9.02(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-ethyl-2-[[3-(4-methylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-5H-pyrimidin-4-one

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)[C@@H]2CC(=NN2C(=O)CS(=O)(=O)C3=C4C=CC=CC4=NC3)C5=CC=CS5

DOS

IR

Vibrations