Geometry & MOs

Info

ID:	412323
PubChem CID:	135085212
Reduced:	FeNOSiC23H42 (1)
Stoich.:	ABCDE23F42 (1)
Weight, g/mol:	1761.657588
ΔH_f, kcal/mol:	56.39
Dipole, Da:	4.74
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 2.722327
Charge, e:	0

Chem-info

IUPAC name:

nonasodium;3-bis(3-sulfonatophenyl)phosphanylbenzenesulfonate;nickel

Drug info:

PubChemData

Smile

[CH3-].[CH3-].CC[Si](CC)(CC)OCC1=CC=CN1.C[C-]1C(=C(C(=C1C)C)C)C.[Fe+3]

DOS

IR

Vibrations