Geometry & MOs

Info

ID:

219171

PubChem CID:

85091197

Reduced:

O3N5C40H57 (1)

Stoich.:

A3B5C40D57 (1)

Weight, g/mol:

659.316448

ΔHf, kcal/mol:

-66.58

Dipole, Da:

6.39

IP(EA), eV:

 -8.26(-0.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[4,5-dihydroxy-6-(hydroxymethyl)-2-[(3,4,5-trihydroxy-6-octoxyoxan-2-yl)methoxy]oxan-3-yl]oxy-5-fluoro-4-hydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide

Drug info:

PubChemData

Smile

CCCN(CCCCOCCCN1CCC(C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)C(=O)N)C4CCN(CC4)CC5=C(C=CN=C5)OC

DOS

IR

Vibrations