Geometry & MOs

Info

ID:

404914

PubChem CID:

135071710

Reduced:

GaINa3S3N8O10H14C32 (1)

Stoich.:

ABC3D3E8F10G14H32 (1)

Weight, g/mol:

946.84246

ΔHf, kcal/mol:

-130.21

Dipole, Da:

4.04

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 2.234882

Charge, e:

 0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

C1=CC2=C(C=C1S(=O)(=O)[O-])C3=NC2=NC4=C5C=C(C=CC5=C6N4[Ga]N7C(=N3)C8=C(C7=NC9=NC(=N6)C1=C9C=CC(=C1)S(=O)(=O)[O-])C=C(C=C8)S(=O)(=O)[O-])I.O.[Na+].[Na+].[Na+]

DOS

IR

Vibrations