Geometry & MOs

Info

ID:

15531

PubChem CID:

443260

Reduced:

CoN4O16C44H55 (1)

Stoich.:

AB4C16D44E55 (1)

Weight, g/mol:

954.2945

ΔHf, kcal/mol:

-583.2

Dipole, Da:

31.48

IP(EA), eV:

 -10.21(-6.21)

Spin(Sz, S2):

 None, None

Charge, e:

 1

Chem-info

IUPAC name:

cobalt(2+);3-[(1R,2S,3S,7S,11S,17R,18R,19R)-8,13,17-tris(2-carboxyethyl)-2,7,12,18-tetrakis(carboxymethyl)-1,2,7,11,17-pentamethyl-10,15,18,19-tetrahydro-3H-corrin-21-id-3-yl]propanoic acid

Drug info:

PubChemData

Smile

C[C@@]12CC3=C([C@](C(=N3)C=C4[C@H]([C@]([C@@]([N-]4)([C@H]5[C@@H]([C@@](C(=N5)CC(=N1)C(=C2CC(=O)O)CCC(=O)O)(C)CCC(=O)O)CC(=O)O)C)(C)CC(=O)O)CCC(=O)O)(C)CC(=O)O)CCC(=O)O.[Co+2]

DOS

IR

Vibrations