Geometry & MOs

Info

ID:

444380

PubChem CID:

135262231

Reduced:

NSO3F4H20C24 (1)

Stoich.:

ABC3D4E20F24 (1)

Weight, g/mol:

479.117827

ΔHf, kcal/mol:

-245.39

Dipole, Da:

6.71

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.783989

Charge, e:

 0

Chem-info

IUPAC name:

1-[4-[2-oxo-2-[4-(1,2,2,2-tetrafluoro-1-phenylethyl)anilino]ethyl]phenyl]ethanesulfinic acid

Drug info:

PubChemData

Smile

CC(C1=CC=C(C=C1)CC(=O)NC2=CC=C(C=C2)C(C3=CC=CC=C3)(C(F)(F)F)F)S(=O)[O-]

DOS

IR

Vibrations