Geometry & MOs

Info

ID:	292084
PubChem CID:	114449296
Reduced:	SO2F3N3C6H6 (1)
Stoich.:	AB2C3D3E6F6 (1)
Weight, g/mol:	297.039497
ΔH_f, kcal/mol:	-196.75
Dipole, Da:	5.24
IP(EA), eV:	-9.78(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methoxy-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxylic acid

Drug info:

PubChemData

Smile

C(CNC1=NN=C(S1)C(F)(F)F)C(=O)O

DOS

IR

Vibrations