Geometry & MOs

Info

ID:

329130

PubChem CID:

126731349

Reduced:

P2O11H92C100 (1)

Stoich.:

A2B11C92D100 (1)

Weight, g/mol:

1575.656313

ΔHf, kcal/mol:

-221.65

Dipole, Da:

7.9

IP(EA), eV:

 -8.61(-0.37)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)OCC2=CC=C(C=C2)OC3=CC=C(C=C3)C(C)OC4=C(C=C(C=C4C)OC5=C(C(=C(C=C5C)C6=C(C(=C(C(=C6)C)OC7=CC(=C(C(=C7)C)OCC8=CC=C(C=C8)OC9=CC=C(C=C9)COC1=CC(=C(C=C1)O)P(=O)(C1=CC=CC=C1)C1=CC=CC=C1)C)C)C)C)C)C)P(=O)(C1=CC=CC=C1)C1=CC=CC=C1

DOS

IR

Vibrations