Geometry & MOs

Info

ID:

162413

PubChem CID:

57394584

Reduced:

N3O6C20H27 (3)

Stoich.:

A3B6C20D27 (3)

Weight, g/mol:

425.153325

ΔHf, kcal/mol:

-781.39

Dipole, Da:

2.25

IP(EA), eV:

 -9.81(-0.83)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R,3S,4R,5R,6R)-6-[(2R,3R,4R,5R,6R)-5-acetamido-3-hydroxy-2-(hydroxymethyl)-6-methoxyoxan-4-yl]oxy-4,5-dihydroxy-3-methoxyoxane-2-carboxylic acid

Drug info:

PubChemData

Smile

CCCCCOC(CN1C(=O)C(C(=O)N(C1=O)CC(COCCCC)OC(=O)N)(CC)C2=CC=CC=C2)OC(=O)N.CCCCOCC(CN1C(=O)C(C(=O)NC1=O)(CC)C2=CC=CC=C2)OC(=O)N.CCC1(C(=O)NC(=O)NC1=O)C2=CC=CC=C2

DOS

IR

Vibrations