Geometry & MOs

Info

ID:

170492

PubChem CID:

75241620

Reduced:

SC8O8H16 (1)

Stoich.:

AB8C8D16 (1)

Weight, g/mol:

2044.697544

ΔHf, kcal/mol:

-342.05

Dipole, Da:

6.28

IP(EA), eV:

-10.06(-0.7)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

N-[4-[3-[3-[3-[3-[3-acetamido-4-[3-[3-[4,5-dihydroxy-6-(hydroxymethyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide

Drug info:

PubChemData

Smile

CC1C(C(C(C(O1)O)OS(=O)(=O)O)OC)OC

DOS

IR

Vibrations