Geometry & MOs

Info

ID:

313257

PubChem CID:

126613083

Reduced:

SN2F3O3H19C20 (1)

Stoich.:

AB2C3D3E19F20 (1)

Weight, g/mol:

391.210721

ΔHf, kcal/mol:

-222.9

Dipole, Da:

4.41

IP(EA), eV:

 -8.91(-0.6)

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-[1-(methoxymethyl)cyclopentyl]urea

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=C/C4=CSC=C4

DOS

IR

Vibrations