Geometry & MOs

Info

ID:	179995
PubChem CID:	76563921
Reduced:	NiN2O2S2C46H64 (1)
Stoich.:	AB2C2D2E46F64 (1)
Weight, g/mol:	874.588622
ΔH_f, kcal/mol:	25.17
Dipole, Da:	20.36
IP(EA), eV:	-6.28(-3.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,4-ditert-butyl-6-(2,6-dibutylanilino)phenolate;nickel(2+)

Drug info:

PubChemData

Smile

CCCSC1=CC=CC=C1NC2=CC(=CC(=C2[O-])C(C)(C)C)C(C)(C)C.CCCSC1=CC=CC=C1NC2=CC(=CC(=C2[O-])C(C)(C)C)C(C)(C)C.[Ni+2]

DOS

IR

Vibrations