Geometry & MOs

Info

ID:	292083
PubChem CID:	114449293
Reduced:	SF3N3O3C8H8 (1)
Stoich.:	AB3C3D3E8F8 (1)
Weight, g/mol:	241.013282
ΔH_f, kcal/mol:	-235.72
Dipole, Da:	5.34
IP(EA), eV:	-9.88(-1.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]propanoic acid

Drug info:

PubChemData

Smile

C1C(CN(C1C(=O)O)C2=NN=C(S2)C(F)(F)F)O

DOS

IR

Vibrations