Geometry & MOs

Info

ID:

432817

PubChem CID:

135172954

Reduced:

N9H19C23 (1)

Stoich.:

A9B19C23 (1)

Weight, g/mol:

1621.784879

ΔHf, kcal/mol:

218.84

Dipole, Da:

1.98

IP(EA), eV:

 -8.44(-1.57)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(2R,3R,4R,5R)-5-acetamido-6-[6-[3-[3-[3-[6-[(3R,4R,5R,6R)-3-acetamido-4,5-diacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyhexylamino]-3-oxopropoxy]-2-[[3-[6-[(3R,4R,5R,6R)-3-acetamido-4,5-diacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyhexylamino]-3-oxopropoxy]methyl]-2-aminopropoxy]propanoylamino]hexoxy]-3,4-diacetyloxyoxan-2-yl]methyl acetate

Drug info:

PubChemData

Smile

CN/C(=C\C1=C(N=NC1=C)C2=NC3=C(N2)C=NC=C3C4=CC=NC=C4)/C5=CC(=CN=C5)N

DOS

IR

Vibrations