Geometry & MOs

Info

ID:

340774

PubChem CID:

127262786

Reduced:

OPH41C42 (1)

Stoich.:

ABC41D42 (1)

Weight, g/mol:

856.474935

ΔHf, kcal/mol:

41.95

Dipole, Da:

0.73

IP(EA), eV:

 -8.21(-0.56)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(R)-[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

C1CCC(CC1)P(C2CCCCC2)C3=C(C4=CC=CC=C4C=C3)C5=C(C=CC6=CC=CC=C65)OC7=CC=CC8=CC=CC=C87

DOS

IR

Vibrations