Geometry & MOs

Info

ID:	125317
PubChem CID:	50919714
Reduced:	CoS3N9C33H44 (1)
Stoich.:	AB3C9D33E44 (1)
Weight, g/mol:	654.096095
ΔH_f, kcal/mol:	31.78
Dipole, Da:	5.31
IP(EA), eV:	-10.38(-3.56)
Spin(S_z, S²):	None, None
Charge, e:	4

Chem-info

IUPAC name:

(1,1,1,2,2,3,3-heptafluoro-7,7-dimethyl-6-oxoniumylideneoctan-4-ylidene)oxidanium;nickel

Drug info:

PubChemData

Smile

CC(=NNC(=S)N1CC2CCC(C1)CC2)C3=CC=CC=N3.CC(=NNC(=S)N1CC2CCC(C1)CC2)C3=CC=CC=N3.C(#N)[S-].[Co]

DOS

IR

Vibrations