Geometry & MOs

Info

ID:	402372
PubChem CID:	135055709
Reduced:	SO3F6H16C23 (1)
Stoich.:	AB3C6D16E23 (1)
Weight, g/mol:	306.074675
ΔH_f, kcal/mol:	-362.21
Dipole, Da:	4.82
IP(EA), eV:	-9.77(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(4-chlorophenyl)-2,2,2-trifluoroethyl]-5,5-dimethylpyrazolidin-3-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)O/C(=C(/C2=CC=CC=C2)\C3=CC=C(C=C3)C(F)(F)F)/C(F)(F)F

DOS

IR

Vibrations