Geometry & MOs

Info

ID:

230986

PubChem CID:

87572395

Reduced:

NO6C28H51 (1)

Stoich.:

AB6C28D51 (1)

Weight, g/mol:

828.378595

ΔHf, kcal/mol:

-349.52

Dipole, Da:

4.92

IP(EA), eV:

 -9.98(-0.26)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R,3R,4S,5R,6R)-2-[1-cyclobutyl-4-[(2-fluoro-4-methoxyphenyl)methyl]-5-methylpyrazol-3-yl]oxy-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-ol

Drug info:

PubChemData

Smile

CCCCCCCCCCCC(=O)OC(=O)CNCC(=O)OC(=O)CCCCCCCCCCC

DOS

IR

Vibrations