Geometry & MOs

Info

ID:

327342

PubChem CID:

126689596

Reduced:

N2F4O5C34H34 (1)

Stoich.:

A2B4C5D34E34 (1)

Weight, g/mol:

258.073953

ΔHf, kcal/mol:

-359.31

Dipole, Da:

8.58

IP(EA), eV:

 -9.37(-0.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(E)-4-[[(3S,3aR,6R,6aR)-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]-2-methyl-4-oxobut-2-enoic acid

Drug info:

PubChemData

Smile

CC1(CN([C@H](C2=C1C=C(C(=C2)COC3=NC=C4C5C(C5C(=O)O)CC4=C3)F)C6=CC=CC=C6C(F)(F)F)C(=O)OC(C)(C)C)C

DOS

IR

Vibrations