Geometry & MOs

Info

ID:

437533

PubChem CID:

135226520

Reduced:

PN2O8H31C42 (1)

Stoich.:

AB2C8D31E42 (1)

Weight, g/mol:

814.208018

ΔHf, kcal/mol:

-206.08

Dipole, Da:

4.24

IP(EA), eV:

 -9.02(-2.39)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[2-[5-(2-methyl-1,3-dioxoisoindol-5-yl)oxy-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=C5C(=C4)C(=O)N(C5=O)C)OC(=O)C(=C)C)P6(=O)C7=CC=CC=C7C8=CC=CC=C8O6

DOS

IR

Vibrations