Geometry & MOs

Info

ID:

16768

PubChem CID:

476603

Reduced:

S2N3O14C43H83 (1)

Stoich.:

A2B3C14D43E83 (1)

Weight, g/mol:

929.531647

ΔHf, kcal/mol:

-743.66

Dipole, Da:

6.51

IP(EA), eV:

 -10.19(-1.29)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(2R,4R,5R,6R)-5-acetamido-2-(hydroxymethyl)-6-[(2S)-2-(octadecanoylamino)-3-oxo-3-(tetradecylamino)propoxy]-3-sulfooxyoxan-4-yl] hydrogen sulfate

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@H]1[C@@H]([C@H](C([C@H](O1)CO)OS(=O)(=O)O)OS(=O)(=O)O)NC(=O)C)C(=O)NCCCCCCCCCCCCCC

DOS

IR

Vibrations