Geometry & MOs

Info

ID:	292082
PubChem CID:	114449275
Reduced:	FN3O3C12H14 (1)
Stoich.:	AB3C3D12E14 (1)
Weight, g/mol:	283.023847
ΔH_f, kcal/mol:	-64.26
Dipole, Da:	3.56
IP(EA), eV:	-9.24(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C(=O)NC1CC1)NC2=C(C=C(C=C2)F)[N+](=O)[O-]

DOS

IR

Vibrations