Geometry & MOs

Info

ID:	15662
PubChem CID:	447055
Reduced:	NSO3C9H15 (1)
Stoich.:	ABC3D9E15 (1)
Weight, g/mol:	217.077265
ΔH_f, kcal/mol:	-145.93
Dipole, Da:	6.09
IP(EA), eV:	-9.4(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-1-[(2S)-2-methyl-3-sulfanylpropanoyl]pyrrolidine-2-carboxylic acid

Drug info:

PubChemData

Smile

C[C@H](CS)C(=O)N1CCC[C@@H]1C(=O)O

DOS

IR

Vibrations