Geometry & MOs

Info

ID:

49899

PubChem CID:

11534181

Reduced:

SO3F4N4H24C27 (1)

Stoich.:

AB3C4D4E24F27 (1)

Weight, g/mol:

560.052673

ΔHf, kcal/mol:

-222.63

Dipole, Da:

5.44

IP(EA), eV:

 -9.22(-1.03)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-chloro-1-N-[2-chloro-4-(1,1,1,2,3,3-hexafluoropropan-2-yl)phenyl]-2-N-[(2S)-1-ethylsulfanylpropan-2-yl]benzene-1,2-dicarboxamide

Drug info:

PubChemData

Smile

CC(C)(C(=O)O)SC1=CC=C(C=C1)CN(CC2=CC=CO2)C3=NC(=NC=C3)NC4=CC(=C(C=C4)F)C(F)(F)F

DOS

IR

Vibrations