Geometry & MOs

Info

ID:

10861

PubChem CID:

108550

Reduced:

Cl4N4O4C39H48 (1)

Stoich.:

A4B4C4D39E48 (1)

Weight, g/mol:

778.240017

ΔHf, kcal/mol:

-158.45

Dipole, Da:

5.12

IP(EA), eV:

 -8.77(-0.93)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-(3-tert-butyl-4-hydroxyphenoxy)-N-[4-chloro-3-[[5-oxo-1-(2,4,6-trichlorophenyl)-4H-pyrazol-3-yl]amino]phenyl]tetradecanamide

Drug info:

PubChemData

Smile

CCCCCCCCCCCCC(C(=O)NC1=CC(=C(C=C1)Cl)NC2=NN(C(=O)C2)C3=C(C=C(C=C3Cl)Cl)Cl)OC4=CC(=C(C=C4)O)C(C)(C)C

DOS

IR

Vibrations