Geometry & MOs

Info

ID:	125668
PubChem CID:	50932928
Reduced:	TlO2C5H8 (1)
Stoich.:	AB2C5D8 (1)
Weight, g/mol:	1104.21586
ΔH_f, kcal/mol:	-85.87
Dipole, Da:	7.39
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.750006
Charge, e:	4

Chem-info

IUPAC name:

5,5-diethyl-1,3-diazinane-2,4,6-trione;gold(1+);triphenylphosphanium

Drug info:

PubChemData

Smile

C/C(=C/C(=O)C)/O.[Tl]

DOS

IR

Vibrations