Geometry & MOs

Info

ID:

230701

PubChem CID:

87571687

Reduced:

PN2O3C19H31 (1)

Stoich.:

AB2C3D19E31 (1)

Weight, g/mol:

652.264353

ΔHf, kcal/mol:

-167.3

Dipole, Da:

4.46

IP(EA), eV:

 -8.38(0.07)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-[4-[(3-fluoro-4-propan-2-yloxyphenyl)methyl]-5-methyl-1-propan-2-ylpyrazol-3-yl]oxy-6-hydroxyoxan-2-yl]methyl acetate

Drug info:

PubChemData

Smile

CCOP(=O)(C/C=C/C1=CC=CC(=C1)CN2CCN(CC2)C)OCC

DOS

IR

Vibrations