Geometry & MOs

Info

ID:	191575
PubChem CID:	78164840
Reduced:	SF3O3N4C23H31 (1)
Stoich.:	AB3C3D4E23F31 (1)
Weight, g/mol:	508.164363
ΔH_f, kcal/mol:	-228.47
Dipole, Da:	4.5
IP(EA), eV:	-8.52(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-benzofuran-5-ylsulfonyl)-N-ethyl-N-[1-[2-(trifluoromethyl)phenyl]ethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCN(CC1=CC=CC=C1C(F)(F)F)C(=O)C2C3C2CN(C3)S(=O)(=O)C4CCC5C(C4)CNN5

DOS

IR

Vibrations