Geometry & MOs

Info

ID:	77885
PubChem CID:	49666408
Reduced:	SN3O6C21H25 (1)
Stoich.:	AB3C6D21E25 (1)
Weight, g/mol:	421.147156
ΔH_f, kcal/mol:	-196.16
Dipole, Da:	5.72
IP(EA), eV:	-8.75(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-fluorophenyl)methyl]-2-[3-(4-methylpiperidin-1-yl)sulfonyl-2-oxopyridin-1-yl]acetamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)S(=O)(=O)C2=CC=CN(C2=O)CC(=O)NCC3=CC4=C(C=C3)OCO4

DOS

IR

Vibrations