Geometry & MOs

Info

ID:

222848

PubChem CID:

85332731

Reduced:

N3F5O7H22C24 (1)

Stoich.:

A3B5C7D22E24 (1)

Weight, g/mol:

559.174849

ΔHf, kcal/mol:

-463.85

Dipole, Da:

3.11

IP(EA), eV:

 -9.3(-1.51)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-[2-[6-acetamido-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)C(C(=O)NC(CC(=O)O)C(=O)COC1=C(C(=CC(=C1F)F)F)F)NC(=O)C(=O)NC2=CC=C(C=C2)F

DOS

IR

Vibrations