Geometry & MOs

Info

ID:

47130

PubChem CID:

10529795

Reduced:

SN3O5C27H35 (1)

Stoich.:

AB3C5D27E35 (1)

Weight, g/mol:

515.010619

ΔHf, kcal/mol:

-140.41

Dipole, Da:

8.46

IP(EA), eV:

 -8.66(-0.98)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

cobalt;(6Z)-6-[[2-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]pent-4-enylamino]methylidene]cyclohexa-2,4-dien-1-one;2,2,2-trichloroethanol

Drug info:

PubChemData

Smile

CC[C@@]12CCCN3[C@@H]1C4=C(CC3)C5=C(N4C(=C2)C(=O)OCC=C)C=C(C=C5)S(=O)(=O)NCCCOC

DOS

IR

Vibrations