Geometry & MOs

Info

ID:

313251

PubChem CID:

126613070

Reduced:

FN3O4C23H28 (1)

Stoich.:

AB3C4D23E28 (1)

Weight, g/mol:

427.174336

ΔHf, kcal/mol:

-182.42

Dipole, Da:

3.26

IP(EA), eV:

 -9.1(-0.35)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[(3S,3aR,6S,6aS)-6-(2-methylpyridin-3-yl)oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-3-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)urea

Drug info:

PubChemData

Smile

CC1=C(C=CC=N1)O[C@H]2CO[C@H]3[C@@H]2OC[C@@H]3NC(=O)NC(C)(C)CC4=CC=C(C=C4)F

DOS

IR

Vibrations