Geometry & MOs

Info

ID:

329129

PubChem CID:

126731337

Reduced:

PO5H40C44 (2)

Stoich.:

AB5C40D44 (2)

Weight, g/mol:

1531.614843

ΔHf, kcal/mol:

-251.1

Dipole, Da:

13.15

IP(EA), eV:

 -8.62(-0.82)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-diphenylphosphoryl-4-[[4-[4-[[4-[4-[4-[4-[1-[4-[4-[(2-diphenylphosphoryl-4-methylphenoxy)methyl]phenoxy]phenyl]ethoxy]-3,5-dimethylphenoxy]-2,3,5-trimethylphenyl]-2,3,6-trimethylphenoxy]-2,6-dimethylphenoxy]methyl]phenoxy]phenyl]methoxy]phenol

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)OCC2=CC=C(C=C2)COC3=C(C=C(C=C3C)OC4=C(C=C(C=C4C)C(C)(C)C5=CC(=C(C(=C5)C)OC6=CC(=C(C(=C6)C)OCC7=CC=C(C=C7)COC8=CC(=CC=C8)P9(=O)C1=CC=CC=C1C1=CC=CC=C1O9)C)C)C)C)P1(=O)C2=CC=CC=C2C2=CC=CC=C2O1

DOS

IR

Vibrations