Geometry & MOs

Info

ID:

441013

PubChem CID:

135232707

Reduced:

N5O30C47H79 (1)

Stoich.:

A5B30C47D79 (1)

Weight, g/mol:

802.33314

ΔHf, kcal/mol:

-1384.94

Dipole, Da:

20.79

IP(EA), eV:

 -8.9(-0.26)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[5-[(2S,4R,6R)-3-acetamido-5-[3-acetamido-5-[(2S,4R,6R)-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-2,4-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide

Drug info:

PubChemData

Smile

CC1C(C(C(C(O1)OCC2C(C(C(C(O2)O)NC(=O)C)O)OC3C(C(C(C(O3)CO)OC4C(C(C(C(O4)CO)OC5C(C(C(C(O5)CO)OC6C(C(C(C(O6)COC(=O)C)O)O)NC)O)NC(=O)C)O)NC(=O)C)O)NC(=O)C)O)O)O

DOS

IR

Vibrations