Geometry & MOs

Info

ID:

326154

PubChem CID:

126686785

Reduced:

NO3C10H21 (1)

Stoich.:

AB3C10D21 (1)

Weight, g/mol:

1231.615689

ΔHf, kcal/mol:

-166.51

Dipole, Da:

3.09

IP(EA), eV:

-9.4(0.44)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

3-[2-methyl-3-[3-oxo-3-[2-[2-[2-[(2S,3R,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethylamino]propoxy]-2-[[3-oxo-3-[2-[2-[2-[(2S,3R,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethylamino]propoxy]methyl]propoxy]-N-[2-[2-[2-[[(3S,5S)-1,3,4,5-tetrahydroxyhexan-2-yl]oxymethoxy]ethoxy]ethoxy]ethyl]propanamide

Drug info:

PubChemData

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CCCC[C@@H]([C@H]([C@H](C)C(=O)OC)O)N

DOS

IR

Vibrations