Geometry & MOs

Info

ID:

128087

PubChem CID:

51030562

Reduced:

O2S2F3N5H22C26 (1)

Stoich.:

A2B2C3D5E22F26 (1)

Weight, g/mol:

488.12423

ΔHf, kcal/mol:

-107.3

Dipole, Da:

15.77

IP(EA), eV:

 -8.65(-1.17)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[4,4-dimethyl-5-oxo-3-[[6-(2-oxoimidazolidin-1-yl)pyridin-3-yl]methyl]-2-sulfanylideneimidazolidin-1-yl]-2-(trifluoromethyl)benzonitrile

Drug info:

PubChemData

Smile

CC1(C(=O)N(C(=S)N1CC2=CN=C(C=C2)N=S(=O)(C)C3=CC=CC=C3)C4=CC(=C(C=C4)C#N)C(F)(F)F)C

DOS

IR

Vibrations