Geometry & MOs

Info

ID:

176358

PubChem CID:

76037013

Reduced:

PO5C66H71 (1)

Stoich.:

AB5C66D71 (1)

Weight, g/mol:

986.503912

ΔHf, kcal/mol:

234.21

Dipole, Da:

16.23

IP(EA), eV:

 -4.95(-3.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[7-(5,5-dimethyl-2-oxo-1,3,2lambda5-dioxaphosphinan-2-yl)(C60-Ih)[5,6]fulleran-1-yl] acetate

Drug info:

PubChemData

Smile

CCOP(=O)(C12C3C4C5C6C7C8C9C%10C%11C%12C%13C9C7C7C5C5C3C3C1C1C9C%14C3C3C5C7C%13C5C%12C7C%12C%11C%11C%10C%10C8C8C6C4C4C2C2C1(C1C9C(C7C%14C53)C%12C3C%11C5C%10C8C4C2C5C31)OC(=O)C)OCC

DOS

IR

Vibrations