Geometry & MOs

Info

ID:

329132

PubChem CID:

126731353

Reduced:

P2O12H78C87 (1)

Stoich.:

A2B12C78D87 (1)

Weight, g/mol:

1362.553973

ΔHf, kcal/mol:

-234.18

Dipole, Da:

6.02

IP(EA), eV:

 -8.34(-0.83)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-diphenylphosphoryl-4-[[4-[1-[4-[4-[2-[4-[4-[[4-[(3-diphenylphosphoryl-4-hydroxyphenoxy)methyl]phenyl]methoxy]-3,5-dimethylphenoxy]-3,5-dimethylphenyl]propan-2-yl]-2,6-dimethylphenoxy]-2,6-dimethylphenoxy]ethyl]phenyl]methoxy]phenol

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1OC2=CC(=C(C(=C2)C)OCC3=CC=C(C=C3)COC4=CC(=C(C=C4)O)P5(=O)C6=CC=CC=C6C7=CC=CC=C7O5)C)C)C(C)(C)C8=CC(=C(C(=C8)C)OC9=CC(=C(C(=C9)C)OCC1=CC=C(C=C1)COC1=C(C=C(C=C1)O)P1(=O)C2=CC=CC=C2C2=CC=CC=C2O1)C)C

DOS

IR

Vibrations