Geometry & MOs

Info

ID:	277539
PubChem CID:	103829276
Reduced:	N3C14H19 (1)
Stoich.:	A3B14C19 (1)
Weight, g/mol:	242.072513
ΔH_f, kcal/mol:	41.96
Dipole, Da:	7.66
IP(EA), eV:	-9.06(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2S,4S)-4-hydroxy-1-(1,3-thiazol-2-ylmethyl)pyrrolidine-2-carboxylate

Drug info:

PubChemData

Smile

C[C@@H]1CCC[C@@H](N1CC2=CC(=NC=C2)C#N)C

DOS

IR

Vibrations