Geometry & MOs

Info

ID:

226520

PubChem CID:

87457744

Reduced:

SO3F6N6C28H32 (1)

Stoich.:

AB3C6D6E28F32 (1)

Weight, g/mol:

633.184445

ΔHf, kcal/mol:

-388.4

Dipole, Da:

9.5

IP(EA), eV:

 -8.47(-1.08)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-[[5,5-dimethyl-2,4-dioxo-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidin-1-yl]methyl]pyridin-2-yl]-2,2,2-trifluoro-N-(3-morpholin-4-ylpropyl)acetamide

Drug info:

PubChemData

Smile

CC1(C(=O)N(C(=O)N1CC2=CC(=NC=C2)N(CCCN3CCN(CC3)C)C(=O)C(F)(F)F)C4=CC=C(C=C4)SC(F)(F)F)C

DOS

IR

Vibrations