Geometry & MOs

Info

ID:	53823
PubChem CID:	14718057
Reduced:	IrO3S3N6C21H39 (1)
Stoich.:	AB3C3D6E21F39 (1)
Weight, g/mol:	541.114513
ΔH_f, kcal/mol:	-103.51
Dipole, Da:	36.99
IP(EA), eV:	-9.54(-3.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-acetyl-N,N-diethylcarbamimidothioate;platinum(2+)

Drug info:

PubChemData

Smile

CCN(CC)C(=NC(=O)C)[S-].CCN(CC)C(=NC(=O)C)[S-].CCN(CC)C(=NC(=O)C)[S-].[Ir+3]

DOS

IR

Vibrations