Geometry & MOs

Info

ID:

437532

PubChem CID:

135226519

Reduced:

PN2O7H27C38 (1)

Stoich.:

AB2C7D27E38 (1)

Weight, g/mol:

722.181803

ΔHf, kcal/mol:

-182.37

Dipole, Da:

7.08

IP(EA), eV:

 -9.07(-2.25)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[5-[1-(4-methylphenyl)-1-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)ethyl]-2-(6-methyl-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-2-yl)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)O)P6(=O)C7=CC=CC=C7C8=CC=CC=C8O6

DOS

IR

Vibrations