Geometry & MOs

Info

ID:

319605

PubChem CID:

126656776

Reduced:

SF4N4O4C28H30 (1)

Stoich.:

AB4C4D4E28F30 (1)

Weight, g/mol:

551.15019

ΔHf, kcal/mol:

-296.66

Dipole, Da:

13.13

IP(EA), eV:

 -9.02(-1.27)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl 1-[[4-[3-[4-cyano-3-(trifluoromethyl)phenyl]-4-hydroxy-5,5-dimethyl-2-sulfanylideneimidazolidin-1-yl]-2-fluorophenoxy]methyl]cyclopropane-1-carboxylate

Drug info:

PubChemData

Smile

CC1(C(N(C(=S)N1C2=CC(=C(C=C2)OCC3(CC3)NC(=O)OC(C)(C)C)F)C4=CC(=C(C=C4)C#N)C(F)(F)F)O)C

DOS

IR

Vibrations