Geometry & MOs

Info

ID:	407086
PubChem CID:	135079296
Reduced:	LiP2S2H21C25 (1)
Stoich.:	AB2C2D21E25 (1)
Weight, g/mol:	770.25116
ΔH_f, kcal/mol:	17.44
Dipole, Da:	17.04
IP(EA), eV:	-7.51(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	-8

Chem-info

IUPAC name:

3,4,6,7,8,9a-hexahydro-2H-pyrimido[1,2-a]pyrimidine-1,9-diide;palladium

Drug info:

PubChemData

Smile

[Li+].C1=CC=C(C=C1)P(=S)([CH-]P(=S)(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4

DOS

IR

Vibrations