Geometry & MOs

Info

ID:	43710
PubChem CID:	10321680
Reduced:	O3N7C23H31 (1)
Stoich.:	A3B7C23D31 (1)
Weight, g/mol:	453.092932
ΔH_f, kcal/mol:	-27.43
Dipole, Da:	5.42
IP(EA), eV:	-8.84(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-benzyl-5-methyl-6-[[3-(2-methylsulfanylpyridin-3-yl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-1H-pyrimidine-2,4-dione

Drug info:

PubChemData

Smile

CCN1C2=NC=C(C(=C2C=N1)NC3CCOCC3)C4=NC(=NO4)CC(=O)N5CCC(CC5)C

DOS

IR

Vibrations