Geometry & MOs

Info

ID:

318702

PubChem CID:

126652773

Reduced:

N2O35C83H152 (1)

Stoich.:

A2B35C83D152 (1)

Weight, g/mol:

1708.986265

ΔHf, kcal/mol:

-1765.91

Dipole, Da:

8.07

IP(EA), eV:

 -9.59(-0.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(2S)-3-hexadecoxy-2-tetradecoxypropyl] 5-[5-[(2S,4R,5S)-5-[(2S,4R,5R)-5-[(2R,4S,5S)-4-[(2S,4R,5R)-3-acetamido-4-[(2R,4S,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,4S,5S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentylamino]-5-oxopentanoate

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCOC[C@@H](COC(=O)CCCC(=O)NCCCCCO[C@@H]1C([C@H]([C@@H](C(O1)CO)O[C@H]2C([C@H]([C@H](C(O2)CO)O[C@@H]3C([C@H]([C@H](C(O3)CO)O)O[C@H]4C([C@H]([C@H](C(O4)CO)O)O[C@H]5C([C@H]([C@H](C(O5)CO)O)O)O[C@H]6C([C@H]([C@@H](C(O6)C)O)O)O)NC(=O)C)O)O)O)O)O)OCCCCCCCCCCCCCCCC

DOS

IR

Vibrations