Geometry & MOs

Info

ID:

297531

PubChem CID:

117620009

Reduced:

OH40C41 (1)

Stoich.:

AB40C41 (1)

Weight, g/mol:

956.287847

ΔHf, kcal/mol:

14.48

Dipole, Da:

2.69

IP(EA), eV:

 -7.92(-1.25)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3S,4R,6R)-3-[(2S,4R,5S)-3-acetamido-4-[(2R,4R,5S)-3,4-dihydroxy-5-methoxy-6-[2-(pyridin-2-yldisulfanyl)ethylcarbamoyl]oxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[(3S,4R,6S)-5-acetamido-3-hydroxy-2-(hydroxymethyl)-6-methyloxan-4-yl]oxy-4,5-dihydroxyoxane-2-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)C1=CC2=C3C4=CC=CC=C4C(C3=CC5=C(C=C6C(=C25)C1=CC7=C6C8=C(O7)C=CC(=C8)C(C)(C)C)C(C)C)(C)C

DOS

IR

Vibrations