Geometry & MOs

Info

ID:

189855

PubChem CID:

77915540

Reduced:

ON3C7H10 (2)

Stoich.:

AB3C7D10 (2)

Weight, g/mol:

1404.502569

ΔHf, kcal/mol:

-6.9

Dipole, Da:

4.56

IP(EA), eV:

-8.6(-0.42)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)NC1=C2C(=NC(=N1)N)N(C=N2)C=C3CC3(CO)CO

DOS

IR

Vibrations