Geometry & MOs

Info

ID:	175396
PubChem CID:	75897471
Reduced:	SO3N4H16C18 (1)
Stoich.:	AB3C4D16E18 (1)
Weight, g/mol:	417.212452
ΔH_f, kcal/mol:	-5.62
Dipole, Da:	5.79
IP(EA), eV:	-9.46(-1.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-(2-methoxyethyl)-8-(2-morpholin-4-ylpyrimidin-5-yl)-3-propyl-4,5-dihydropurine-2,6-dione

Drug info:

PubChemData

Smile

C1CN(CCN1C(=O)C2C3=CC=CC=C3C(=O)N=N2)C(=O)C4=CSC=C4

DOS

IR

Vibrations