Geometry & MOs

Info

ID:	121940
PubChem CID:	50787005
Reduced:	SN4O5C22H26 (1)
Stoich.:	AB4C5D22E26 (1)
Weight, g/mol:	413.160023
ΔH_f, kcal/mol:	-111.35
Dipole, Da:	5.83
IP(EA), eV:	-8.74(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C1=CC=C(C=C1)OC)NC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=C(O3)C4=CC=NN4

DOS

IR

Vibrations