Geometry & MOs

Info

ID:

170005

PubChem CID:

75179395

Reduced:

F3N3O5C22H22 (1)

Stoich.:

A3B3C5D22E22 (1)

Weight, g/mol:

729.233267

ΔHf, kcal/mol:

-324.09

Dipole, Da:

3.51

IP(EA), eV:

 -9.14(-1.05)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

sodium;2-[3,5-dihydroxy-2-(hydroxymethyl)-6-[2-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxycyclohexyl]oxyoxan-4-yl]oxy-3-[4-[3-(trifluoromethyl)phenyl]triazol-1-yl]propanoate

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1)NC(=O)C2=CC(=CC=C2)OC(F)(F)F)OC3CCCC4C3NC(=O)N4

DOS

IR

Vibrations