Geometry & MOs

Info

ID:

441014

PubChem CID:

135232713

Reduced:

N4O20C31H54 (1)

Stoich.:

A4B20C31D54 (1)

Weight, g/mol:

1231.427237

ΔHf, kcal/mol:

-923.03

Dipole, Da:

10.09

IP(EA), eV:

 -9.28(0.05)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[5-acetamido-3-[3-acetamido-5-[3-acetamido-5-[3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[5-acetamido-4,6-dihydroxy-2-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-3-yl]oxy-4-hydroxyoxan-2-yl]methyl methyl sulfate

Drug info:

PubChemData

Smile

CC(=O)NC1[C@H](C([C@H](O[C@H]1OC2C(OC(C(C2O)NC(=O)C)O)CO)CO)OC3C(C(C(C(O3)CO)O[C@H]4C([C@H](C([C@H](O4)CO)O)O)NC)O)NC(=O)C)O

DOS

IR

Vibrations