Geometry & MOs

Info

ID:

441017

PubChem CID:

135232718

Reduced:

N5O27C56H87 (1)

Stoich.:

A5B27C56D87 (1)

Weight, g/mol:

1245.442887

ΔHf, kcal/mol:

-1189.97

Dipole, Da:

8.65

IP(EA), eV:

 -9.24(-0.43)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[5-acetamido-3-[3-acetamido-5-[3-acetamido-5-[4,5-dihydroxy-6-(hydroxymethyl)-3-(methylamino)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

CCCCCCC#CCCCOC1=CC=CC(=C1)C(=O)NC2[C@H](C(C(OC2OC3C(OC(C(C3O)NC(=O)C)OC4[C@@H](C(C(OC4CO)OC5C(OC(C(C5O)NC(=O)C)OC6[C@@H](C(C(OC6CO)O)NC(=O)C)O)CO)NC(=O)C)O)CO)CO)O)O

DOS

IR

Vibrations