Geometry & MOs

Info

ID:	125054
PubChem CID:	50908227
Reduced:	ClSN2F3O3C16H20 (1)
Stoich.:	ABC2D3E3F16G20 (1)
Weight, g/mol:	264.111007
ΔH_f, kcal/mol:	-236.15
Dipole, Da:	6.18
IP(EA), eV:	-8.77(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl (2R,4R,5S)-5-pyridin-2-ylpyrrolidine-2,4-dicarboxylate

Drug info:

PubChemData

Smile

CC(C)[C@]12CCC[C@H](C1)[N+](=N2)C3=CC=C(C=C3)Cl.C(F)(F)(F)S(=O)(=O)[O-]

DOS

IR

Vibrations