Geometry & MOs

Info

ID:	49526
PubChem CID:	11533177
Reduced:	ClON2C31H33 (1)
Stoich.:	ABC2D31E33 (1)
Weight, g/mol:	485.135147
ΔH_f, kcal/mol:	83.7
Dipole, Da:	4.06
IP(EA), eV:	-8.66(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-3,6-difluoro-N-[[4-(6-methylpyridin-2-yl)-1-propylsulfonylpiperidin-4-yl]methyl]benzamide

Drug info:

PubChemData

Smile

C1CCC(CC1)N(CCOC2=CC=C(C=C2)C#CC3=NC=C(C=C3)C4=CC=C(C=C4)Cl)CC5CC5

DOS

IR

Vibrations