Geometry & MOs

Info

ID:

231117

PubChem CID:

87572685

Reduced:

FN2O8C22H29 (1)

Stoich.:

AB2C8D22E29 (1)

Weight, g/mol:

474.181372

ΔHf, kcal/mol:

-342.48

Dipole, Da:

4.18

IP(EA), eV:

 -8.7(0.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R,3R,4S,5S,6R)-2-[4-[(2,5-difluoro-4-methoxyphenyl)methyl]-5-methyl-1-propan-2-ylpyrazol-3-yl]oxy-6-(hydroxymethyl)oxane-2,3,4,5-tetrol

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C2CCC2)O[C@]3([C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)CC4=C(C=C(C=C4)OC)F

DOS

IR

Vibrations