Geometry & MOs

Info

ID:	236380
PubChem CID:	92712613
Reduced:	ClN2O5H15C18 (1)
Stoich.:	AB2C5D15E18 (1)
Weight, g/mol:	453.212452
ΔH_f, kcal/mol:	-106.39
Dipole, Da:	2.11
IP(EA), eV:	-8.75(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-[[(2S)-3-acetyl-2-[4-(diethylamino)phenyl]-2H-1,3,4-oxadiazol-5-yl]methyl]-1,3-dimethylpurine-2,6-dione

Drug info:

PubChemData

Smile

CC(=O)N1[C@H](OC(=N1)COC2=CC3=C(C=C2)OCO3)C4=CC(=CC=C4)Cl

DOS

IR

Vibrations