Geometry & MOs

Info

ID:

47562

PubChem CID:

10534389

Reduced:

NO19C66H105 (1)

Stoich.:

AB19C66D105 (1)

Weight, g/mol:

1252.539551

ΔHf, kcal/mol:

-920.13

Dipole, Da:

2.04

IP(EA), eV:

 -9.63(-0.65)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl (2S,3R,4S,5R,6R)-3-[(2R,3R,4S,5S,6R)-6-(hydroxymethyl)-5-[(2R,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxy-3,4-bis(phenylmethoxy)oxan-2-yl]oxy-4,5,6-tris(phenylmethoxy)oxane-2-carboxylate

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@H]1[C@@H]([C@H]([C@@H](CO1)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)[C@@H](/C=C/CCCCCCCCCCCCC)OC(=O)C3=CC=CC=C3

DOS

IR

Vibrations