Geometry & MOs

Info

ID:

83271

PubChem CID:

49857377

Reduced:

O3N5C21H25 (1)

Stoich.:

A3B5C21D25 (1)

Weight, g/mol:

1226.749938

ΔHf, kcal/mol:

-59.88

Dipole, Da:

4.2

IP(EA), eV:

-8.6(-0.51)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

N-[(E,2S,3R)-1-[(2R,3R,4S,5R,6R)-4-[(2S,3R,4R,5R,6R)-5-[(2R,3R,4R,5R,6R)-5-[(2S,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxyoctadec-4-en-2-yl]hexadecanamide

Drug info:

PubChemData

Smile

CCNC(=O)NC1=CC=C(C=C1)C2=NC(=C3CCCOC3=N2)N4C[C@@H]5C[C@H]4CO5

DOS

IR

Vibrations