Geometry & MOs

Info

ID:

230305

PubChem CID:

87570622

Reduced:

FN2O9C24H31 (1)

Stoich.:

AB2C9D24E31 (1)

Weight, g/mol:

458.186458

ΔHf, kcal/mol:

-380.56

Dipole, Da:

5.05

IP(EA), eV:

 -8.88(0.05)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R,3R,4S,5S,6R)-2-[4-[(2,3-difluoro-4-methylphenyl)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=C(C=C1)CC2=C(N(N=C2O[C@]3([C@@H]([C@H]([C@@H]([C@H](O3)C(C(=O)OC)O)O)O)O)O)CC4CC4)C)F

DOS

IR

Vibrations