Geometry & MOs

Info

ID:

47565

PubChem CID:

10534431

Reduced:

N2O30C57H68 (1)

Stoich.:

A2B30C57D68 (1)

Weight, g/mol:

1260.395497

ΔHf, kcal/mol:

-1295.13

Dipole, Da:

16.02

IP(EA), eV:

 -9.24(-0.79)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

dibenzyl [(1S,2S,3R,4S,5R,6S)-2,4-bis[bis(phenylmethoxy)phosphoryloxy]-5-[(4-methoxyphenyl)methoxy]-3,6-bis(phenylmethoxy)cyclohexyl] phosphate

Drug info:

PubChemData

Smile

CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)NC(=O)C[C@@H](C(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)OC(=O)C)OC(=O)C)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)COC(=O)C)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C

DOS

IR

Vibrations