Geometry & MOs

Info

ID:	245459
PubChem CID:	99445058
Reduced:	FSN2O3H21C22 (1)
Stoich.:	ABC2D3E21F22 (1)
Weight, g/mol:	394.136257
ΔH_f, kcal/mol:	-87.73
Dipole, Da:	4.41
IP(EA), eV:	-9.22(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-ethylsulfonyl-N-(2-fluorophenyl)-N-(furan-2-ylmethyl)piperidine-4-carboxamide

Drug info:

PubChemData

Smile

C1CN(CCC1C(=O)N(CC2=CC=CO2)C3=CC=CC=C3F)C(=O)C4=CC=CS4

DOS

IR

Vibrations