Geometry & MOs

Info

ID:

412488

PubChem CID:

135085383

Reduced:

SN3O5C30H35 (1)

Stoich.:

AB3C5D30E35 (1)

Weight, g/mol:

605.351723

ΔHf, kcal/mol:

-99.26

Dipole, Da:

6.11

IP(EA), eV:

 -8.31(-0.71)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

cobalt;(6Z)-2,4-ditert-butyl-6-[[[(1R,2R)-2-[[(Z)-(3,5-ditert-butyl-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]cyclohexyl]amino]methylidene]cyclohexa-2,4-dien-1-one

Drug info:

PubChemData

Smile

COC1=CC(=C(C(=C1)OC)NC(=S)O[C@H](C2CC3CCN2CC3C=C)C4=C5C=C(C=NC5=CC=C4)OC)OC

DOS

IR

Vibrations