Geometry & MOs

Info

ID:

375688

PubChem CID:

134220811

Reduced:

SN2O2F3H21C22 (1)

Stoich.:

AB2C2D3E21F22 (1)

Weight, g/mol:

767.269537

ΔHf, kcal/mol:

-18.42

Dipole, Da:

6.29

IP(EA), eV:

 -6.51(-2.98)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-[3-[1-[2-[6-(4-aminobutoxy)-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-carboxy-3,5-dihydroxyoxan-4-yl]oxy-2,2-dihydroxyethoxy]-4-hydroxybutan-2-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid

Drug info:

PubChemData

Smile

C1CC2(CCC1N3C2=NS(=O)CC3)C4=CC=C(C=C4)OC5=CC=CC(=C5)C(F)(F)F

DOS

IR

Vibrations