Geometry & MOs

Info

ID:

190148

PubChem CID:

77959937

Reduced:

ClF3N3O4C31H33 (1)

Stoich.:

AB3C3D4E31F33 (1)

Weight, g/mol:

740.434179

ΔHf, kcal/mol:

-239.08

Dipole, Da:

7.66

IP(EA), eV:

 -9.34(-1.0)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-tert-butyl-6-[9-[3-tert-butyl-5-(4-tert-butylphenyl)-6-oxocyclohex-2-en-1-ylidene]-1,10-phenanthrolin-2-ylidene]-2-(4-tert-butylphenyl)cyclohexa-2,4-dien-1-one

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)Cl)C2CN(CC2N(C)C(=O)C3=CC(=C(C=C3)OC)C(F)(F)F)C(=O)C4CCN(CC4)C(=O)C5=CC5

DOS

IR

Vibrations