Geometry & MOs

Info

ID:

437535

PubChem CID:

135226522

Reduced:

PN2O8H35C48 (1)

Stoich.:

AB2C8D35E48 (1)

Weight, g/mol:

948.203522

ΔHf, kcal/mol:

-184.37

Dipole, Da:

5.96

IP(EA), eV:

 -8.86(-1.88)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[2-[5-[1,1,1,3,3,3-hexafluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]-1,3-dioxoisoindol-2-yl]-5-[1-(4-methylphenyl)-1-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)ethyl]phenyl] 2-methylprop-2-enoate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(C)(C2=CC(=C(C=C2)N3C(=O)C4=C(C3=O)C=C(C=C4)C5=CC6=C(C=C5)C(=O)N(C6=O)C)OC(=O)C(=C)C)P7(=O)C8=CC=CC=C8C9=CC=CC=C9O7

DOS

IR

Vibrations