Geometry & MOs

Info

ID:	54590
PubChem CID:	17388951
Reduced:	NaN2S2O5H9C11 (1)
Stoich.:	AB2C2D5E9F11 (1)
Weight, g/mol:	357.1536
ΔH_f, kcal/mol:	-172.24
Dipole, Da:	15.56
IP(EA), eV:	-9.55(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,6-dimethyl-1-(3-morpholin-4-ylpropyl)pyrimidine-2,4-dione;oxalic acid

Drug info:

PubChemData

Smile

C1=CSC(=C1)CC(=O)N/N=C\C2=CC=C(O2)S(=O)(=O)[O-].[Na+]

DOS

IR

Vibrations