Geometry & MOs

Info

ID:

340775

PubChem CID:

127262787

Reduced:

P2O4C55H70 (1)

Stoich.:

A2B4C55D70 (1)

Weight, g/mol:

856.474935

ΔHf, kcal/mol:

-182.61

Dipole, Da:

1.8

IP(EA), eV:

 -8.37(0.27)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(S)-[3-(1-adamantyl)-2-(methoxymethoxy)-5-methylphenyl]methyl-[2-[[2-(methoxymethoxy)-5-methyl-3-(3-methyl-1-adamantyl)phenyl]methyl-phenylphosphanyl]ethyl]-phenylphosphane

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