Geometry & MOs

Info

ID:	141454
PubChem CID:	52878516
Reduced:	NO4C13H21 (1)
Stoich.:	AB4C13D21 (1)
Weight, g/mol:	339.04444
ΔH_f, kcal/mol:	-198.66
Dipole, Da:	3.36
IP(EA), eV:	-9.65(0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2R)-2-[(6-chloro-1,3-benzothiazol-2-yl)carbamoyl]pyrrolidine-1-carboxylate

Drug info:

PubChemData

Smile

COC(=O)N1CCC[C@@H]1C(=O)OC2CCCCC2

DOS

IR

Vibrations