Geometry & MOs

Info

ID:	245336
PubChem CID:	99443540
Reduced:	ClFNSO5H17C18 (1)
Stoich.:	ABCDE5F17G18 (1)
Weight, g/mol:	455.187878
ΔH_f, kcal/mol:	-221.65
Dipole, Da:	2.99
IP(EA), eV:	-9.16(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-phenyl-1-[2-(4-piperidin-1-ylsulfonylphenyl)acetyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

C1C2=C(C(=CC(=C2)Cl)CS(=O)(=O)CCC(=O)NC3=CC(=CC=C3)F)OCO1

DOS

IR

Vibrations