Geometry & MOs

Info

ID:

437531

PubChem CID:

135226518

Reduced:

PN2O3H23C26 (1)

Stoich.:

AB2C3D23E26 (1)

Weight, g/mol:

654.155588

ΔHf, kcal/mol:

-76.14

Dipole, Da:

5.95

IP(EA), eV:

 -8.23(-0.61)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[2-hydroxy-4-[1-(4-methylphenyl)-1-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)ethyl]phenyl]-6-methylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone

Drug info:

PubChemData

Smile

CC(C1=CC=C(C=C1)N)(C2=CC(=C(C=C2)N)O)P3(=O)C4=CC=CC=C4C5=CC=CC=C5O3

DOS

IR

Vibrations