Geometry & MOs

Info

ID:

226509

PubChem CID:

87457690

Reduced:

OF11H11C28 (1)

Stoich.:

AB11C11D28 (1)

Weight, g/mol:

513.152082

ΔHf, kcal/mol:

-452.64

Dipole, Da:

7.7

IP(EA), eV:

 -8.81(-1.63)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-ethyl-N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanamide

Drug info:

PubChemData

Smile

COC1=CC(=C(C(=C1)F)C2=C3C(=CC=C(C3=C(C4=CC=CC=C42)C5=C(C(=C(C(=C5F)F)C(F)(F)F)F)F)F)F)F

DOS

IR

Vibrations