Geometry & MOs

Info

ID:	52229
PubChem CID:	12015034
Reduced:	ON4C20H24 (1)
Stoich.:	AB4C20D24 (1)
Weight, g/mol:	388.066383
ΔH_f, kcal/mol:	49.75
Dipole, Da:	1.74
IP(EA), eV:	-8.26(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-methyl-2-phenyl-6-[(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)methylsulfanyl]pyrimidine-5-carboxylate

Drug info:

PubChemData

Smile

C1CCN(CC1)CCN2C3=CC=CC=C3N4C2=NC(C4)C5=CC=CO5

DOS

IR

Vibrations