Geometry & MOs

Info

ID:

340776

PubChem CID:

127262788

Reduced:

P2O4C55H70 (1)

Stoich.:

A2B4C55D70 (1)

Weight, g/mol:

754.406855

ΔHf, kcal/mol:

-177.72

Dipole, Da:

2.45

IP(EA), eV:

 -8.41(0.24)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-(1-adamantyl)-6-[[2-[[3-(1-adamantyl)-2-hydroxy-5-methylphenyl]methyl-phenylphosphanyl]ethyl-phenylphosphanyl]methyl]-4-methylphenol

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)C23CC4CC(C2)CC(C4)C3)OCOC)C[P@@](CC[P@](CC5=C(C(=CC(=C5)C)C67CC8CC(C6)CC(C8)(C7)C)OCOC)C9=CC=CC=C9)C1=CC=CC=C1

DOS

IR

Vibrations