Geometry & MOs

Info

ID:	140468
PubChem CID:	52702923
Reduced:	SN2O4C25H28 (1)
Stoich.:	AB2C4D25E28 (1)
Weight, g/mol:	417.161933
ΔH_f, kcal/mol:	-101.56
Dipole, Da:	6.09
IP(EA), eV:	-8.94(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-chloro-4-fluorophenyl)-2-[[2-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]amino]benzamide

Drug info:

PubChemData

Smile

C[C@@H](C1=CC=C(C=C1)S(=O)(=O)N(C)C)NC(=O)[C@H](C)OC2=CC=C(C=C2)C3=CC=CC=C3

DOS

IR

Vibrations