Geometry & MOs

Info

ID:

48757

PubChem CID:

11528300

Reduced:

NPO27C71H136 (1)

Stoich.:

ABC27D71E136 (1)

Weight, g/mol:

1466.583692

ΔHf, kcal/mol:

-1400.91

Dipole, Da:

11.71

IP(EA), eV:

 -9.16(-0.14)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(2R)-3-[[(2R,3R,5S,6R)-3,5-bis[bis(phenylmethoxy)phosphoryloxy]-2,4,6-tris(phenylmethoxy)cyclohexyl]oxy-phenylmethoxyphosphoryl]oxy-2-octanoyloxypropyl] octanoate

Drug info:

PubChemData

Smile

CCCCCCCC/C=C\CCCCCCCC(=O)OCC(COP(=O)(O)OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC[C@@H]([C@H]([C@@H]([C@@H](CO)O)O[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)O)O)OC(=O)CCCCCCC/C=C\CCCCCCCC

DOS

IR

Vibrations