Geometry & MOs

Info

ID:	142926
PubChem CID:	53117561
Reduced:	FSN2O3C23H29 (1)
Stoich.:	ABC2D3E23F29 (1)
Weight, g/mol:	328.125692
ΔH_f, kcal/mol:	-165.72
Dipole, Da:	8.35
IP(EA), eV:	-9.31(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-fluorophenyl)methyl]-3-methyl-1-methylsulfonylpiperidine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCCC(C2)(C)C(=O)NCC3=CC(=CC=C3)F)C

DOS

IR

Vibrations