Geometry & MOs

Info

ID:

329125

PubChem CID:

126731330

Reduced:

P2O12H98C105 (1)

Stoich.:

A2B12C98D105 (1)

Weight, g/mol:

1651.599586

ΔHf, kcal/mol:

-185.1

Dipole, Da:

12.01

IP(EA), eV:

 -8.36(-0.33)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[4-[[4-[4-[[4-[4-[4-[3,5-dimethyl-4-[[4-[4-[[4-(2-methylprop-2-enoyloxy)-3-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)phenoxy]methyl]phenyl]phenyl]methoxy]phenoxy]-2,3,5-trimethylphenyl]-2,3,6-trimethylphenoxy]-2,6-dimethylphenoxy]methyl]phenyl]phenyl]methoxy]-3-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)phenyl] 2-methylprop-2-enoate

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)OCC=C)P(=O)(C6=CC=CC=C6)C7=CC=CC=C7)C)C)C(C)(C)C8=CC(=C(C(=C8)C)OC9=CC(=C(C(=C9)C)OCC1=CC=C(C=C1)OC1=CC=C(C=C1)COC1=C(C=C(C=C1)OCC=C)P(=O)(C1=CC=CC=C1)C1=CC=CC=C1)C)C

DOS

IR

Vibrations