Geometry & MOs

Info

ID:

162587

PubChem CID:

57395151

Reduced:

N4O11C18H36 (1)

Stoich.:

A4B11C18D36 (1)

Weight, g/mol:

740.434692

ΔHf, kcal/mol:

-496.02

Dipole, Da:

6.24

IP(EA), eV:

 -9.63(0.46)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(1R,2S,2'R,4S,6R,7S,8R,9S,12S,13S,16S,18S)-2',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,5'-oxane]-16-yl]oxyoxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol

Drug info:

PubChemData

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C1[C@@H]([C@@H]([C@@H]([C@H]([C@@H]1N)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CN)O)O)O)O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)N)O)N

DOS

IR

Vibrations