Geometry & MOs

Info

ID:

319598

PubChem CID:

126656768

Reduced:

SF3N3O4C23H24 (1)

Stoich.:

AB3C3D4E23F24 (1)

Weight, g/mol:

460.113603

ΔHf, kcal/mol:

-242.28

Dipole, Da:

9.83

IP(EA), eV:

 -8.77(-1.32)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[3-[4-[(1-aminocyclopropyl)methoxy]-3-fluorophenyl]-5-hydroxy-4,4-dimethyl-2-sulfanylideneimidazolidin-1-yl]-2-chlorobenzonitrile

Drug info:

PubChemData

Smile

CC1(COCN(C(=S)N1C2=CC=C(C=C2)OC[C@H](CO)O)C3=CC(=C(C=C3)C#N)C(F)(F)F)C

DOS

IR

Vibrations