Geometry & MOs

Info

ID:

326096

PubChem CID:

126686448

Reduced:

ClNNaF3O5H20C26 (1)

Stoich.:

ABCD3E5F20G26 (1)

Weight, g/mol:

686.347334

ΔHf, kcal/mol:

-332.22

Dipole, Da:

19.42

IP(EA), eV:

 -8.07(-1.3)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(2R,6R)-2-[2-[2-[3-[2-[2-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]-2-methylpropoxy]ethoxy]ethoxy]-5,6-dihydroxy-7-(hydroxymethyl)oxepan-3-yl]acetamide

Drug info:

PubChemData

Smile

C1COC2=CC(=C(C=C2C1C(=O)[O-])Cl)OC3=CC=C(C=C3)C(=O)N(CCC4=CC=CC=C4)C(F)(F)F.[Na+]

DOS

IR

Vibrations