Geometry & MOs

Info

ID:

322019

PubChem CID:

126668292

Reduced:

NO5C30H33 (1)

Stoich.:

AB5C30D33 (1)

Weight, g/mol:

1245.485797

ΔHf, kcal/mol:

-147.45

Dipole, Da:

9.36

IP(EA), eV:

-8.7(-0.18)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

(2S,4R,5R)-5-acetamido-2-[(2R,3S,5S)-2-[(2S,3S,5R)-3-acetamido-2-[(2R,4S,5S)-2-[(3R,5S,6S)-6-[(3S,5S,6R)-6-(5-aminopentoxy)-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid

Drug info:

PubChemData

Smile

CCCCOC1=C(C=CC2=C1CC(N(C2)C(=O)C(C)(C3=CC=CC=C3)C4=CC=CC=C4)C(=O)O)OC

DOS

IR

Vibrations