Geometry & MOs

Info

ID:

313266

PubChem CID:

126613176

Reduced:

SN2F3O3H17C20 (1)

Stoich.:

AB2C3D3E17F20 (1)

Weight, g/mol:

444.226037

ΔHf, kcal/mol:

-180.24

Dipole, Da:

3.34

IP(EA), eV:

 -9.02(-0.61)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[(3S,3aR,6S,6aS)-6-[(2,2-dimethyl-4-oxo-3H-chromen-6-yl)oxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-3-cyclohexylurea

Drug info:

PubChemData

Smile

C1[C@@H]([C@@H]2[C@H](O1)[C@H](CO2)NC(=O)NC3=CC=CC(=C3)C(F)(F)F)C#CC4=CSC=C4

DOS

IR

Vibrations