Geometry & MOs

Info

ID:

329128

PubChem CID:

126731336

Reduced:

P2O12H106C117 (1)

Stoich.:

A2B12C106D117 (1)

Weight, g/mol:

1358.522673

ΔHf, kcal/mol:

-154.36

Dipole, Da:

6.34

IP(EA), eV:

 -8.46(-0.26)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-[3-[[4-[[4-[4-[2-[4-[3,5-dimethyl-4-[[4-[[4-methyl-2-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)phenoxy]methyl]phenyl]methoxy]phenoxy]-3,5-dimethylphenyl]propan-2-yl]-2,6-dimethylphenoxy]-2,6-dimethylphenoxy]methyl]phenyl]methoxy]phenyl]benzo[c][2,1]benzoxaphosphinine 6-oxide

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1OC2=CC(=C(C(=C2)C)OCC3=CC=C(C=C3)OC4=CC=C(C=C4)COC5=CC(=C(C=C5)OCC6=CC=C(C=C6)C=C)P(=O)(C7=CC=CC=C7)C8=CC=CC=C8)C)C)C(C)(C)C9=CC(=C(C(=C9)C)OC1=CC(=C(C(=C1)C)OCC1=CC=C(C=C1)OC1=CC=C(C=C1)COC1=C(C=C(C=C1)OCC1=CC=C(C=C1)C=C)P(=O)(C1=CC=CC=C1)C1=CC=CC=C1)C)C

DOS

IR

Vibrations