Geometry & MOs

Info

ID:	228335
PubChem CID:	87563992
Reduced:	NOC2H3F4 (1)
Stoich.:	ABC2D3E4 (1)
Weight, g/mol:	415.010421
ΔH_f, kcal/mol:	-258.92
Dipole, Da:	2.25
IP(EA), eV:	-11.33(0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-chloro-4-(2,2,2-trifluoroethoxy)phenyl]sulfonylcarbonylpyrrolidine-2-carboxylic acid

Drug info:

PubChemData

Smile

C(C(F)(F)F)(N)(O)F

DOS

IR

Vibrations