Geometry & MOs

Info

ID:	53838
PubChem CID:	14718101
Reduced:	PdS2N4O4C16H30 (1)
Stoich.:	AB2C4D4E16F30 (1)
Weight, g/mol:	802.2192
ΔH_f, kcal/mol:	-113.59
Dipole, Da:	5.85
IP(EA), eV:	-7.02(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-ethoxycarbonyl-N,N-diethylcarbamimidothioate;iridium(3+)

Drug info:

PubChemData

Smile

CCN(CC)/C(=N\C(=O)OCC)/[S-].CCN(CC)/C(=N/C(=O)OCC)/[S-].[Pd+2]

DOS

IR

Vibrations