Geometry & MOs

Info

ID:	77912
PubChem CID:	49674239
Reduced:	SO2N6C26H30 (1)
Stoich.:	AB2C6D26E30 (1)
Weight, g/mol:	435.084665
ΔH_f, kcal/mol:	29.97
Dipole, Da:	7.1
IP(EA), eV:	-8.17(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(4-methoxyphenyl)triazolo[4,5-d]pyrimidin-7-one

Drug info:

PubChemData

Smile

COC1=CC(=CC=C1)SC2=NN=C(C=C2)N3CCC(CC3)C(=O)N4CCN(CC4)C5=CC=CC=N5

DOS

IR

Vibrations