Geometry & MOs

Info

ID:

412065

PubChem CID:

135084928

Reduced:

CoSN2F3O5C37H54 (1)

Stoich.:

ABC2D3E5F37G54 (1)

Weight, g/mol:

904.491684

ΔHf, kcal/mol:

-408.82

Dipole, Da:

16.65

IP(EA), eV:

 -8.83(-5.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(Z)-4-hydroxypent-3-en-2-one;nickel;tris(2,4-ditert-butylphenyl) phosphite

Drug info:

PubChemData

Smile

CC(C1=C/C(=C/N[C@H]2[C@@H](CCCC2)N/C=C/3\C(=O)C(=CC(=C3)C(C)(C)C)C(C)(C)C)/C(=O)C(=C1)C(C)(C)C)(C)C.C(S(=O)(=O)[O-])(F)(F)F.[Co]

DOS

IR

Vibrations