Geometry & MOs

Info

ID:	361962
PubChem CID:	127304974
Reduced:	ClFSN2O3C17H22 (1)
Stoich.:	ABCD2E3F17G22 (1)
Weight, g/mol:	353.130633
ΔH_f, kcal/mol:	-174.02
Dipole, Da:	6.08
IP(EA), eV:	-9.33(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N-[1-[(2-chloro-4-fluorophenyl)methyl]piperidin-3-yl]-5-oxopyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

C1CC(CN(C1)CC2=C(C=C(C=C2)F)Cl)NC(=O)C3CCS(=O)(=O)C3

DOS

IR

Vibrations