Geometry & MOs

Info

ID:

329131

PubChem CID:

126731352

Reduced:

P2O9H96C106 (1)

Stoich.:

A2B9C96D106 (1)

Weight, g/mol:

1376.496852

ΔHf, kcal/mol:

-131.89

Dipole, Da:

0.79

IP(EA), eV:

 -8.44(-0.39)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[[4-[[4-[4-[2-[4-[4-[[4-[[4-hydroxy-3-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)phenoxy]methyl]phenyl]methoxy]-3,5-dimethylphenoxy]-3,5-dimethylphenyl]propan-2-yl]-2,6-dimethylphenoxy]-2,6-dimethylphenoxy]methyl]phenyl]methoxy]-3-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)phenol

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)OCC2=CC=C(C=C2)C3=CC=C(C=C3)CC4=CC=C(C=C4)COC5=C(C=C(C=C5C)OC6=C(C(=C(C=C6C)C7=C(C(=C(C(=C7)C)OC8=CC(=C(C(=C8)C)OCC9=CC=C(C=C9)C1=CC=C(C=C1)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