Geometry & MOs

Info

ID:

407976

PubChem CID:

135080731

Reduced:

ClNPO4C12H17 (1)

Stoich.:

ABCD4E12F17 (1)

Weight, g/mol:

1356.692323

ΔHf, kcal/mol:

-199.78

Dipole, Da:

8.56

IP(EA), eV:

-8.61(-0.57)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

cobalt(2+);5,6,8,14,15,17,23,24,26,32,33,35-dodecachloro-7,16,25,34-tetrapyridin-3-yloxy-2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13(18),14,16,19(39),20,22(27),23,25,28,30(37),31(36),32,34-nonadecaene

Drug info:

PubChemData

Smile

CCOP(=O)(C(=CNC1=CC=CC=C1O)Cl)OCC

DOS

IR

Vibrations