Geometry & MOs

Info

ID:

412061

PubChem CID:

135084924

Reduced:

O2N4H46C61 (1)

Stoich.:

A2B4C46D61 (1)

Weight, g/mol:

711.06663

ΔHf, kcal/mol:

293.18

Dipole, Da:

6.45

IP(EA), eV:

 -7.49(-1.67)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

acetic acid;(6Z)-4-bromo-6-[[[(1R,2R)-2-[[(Z)-(3-bromo-5-tert-butyl-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]cyclohexyl]amino]methylidene]-2-tert-butylcyclohexa-2,4-dien-1-one;cobalt

Drug info:

PubChemData

Smile

CN1C=C(N=C1)C[C@@H](CN/C=C\2/C=C3C=CC=CC3=C(C2=O)C4=C(C=CC5=CC=CC=C54)C6=CC=CC=C6)N/C=C\7/C=C8C=CC=CC8=C(C7=O)C9=C(C=CC1=CC=CC=C19)C1=CC=CC=C1

DOS

IR

Vibrations