Geometry & MOs

Info

ID:	155858
PubChem CID:	56367910
Reduced:	SF3N3O4C20H22 (1)
Stoich.:	AB3C3D4E20F22 (1)
Weight, g/mol:	416.122835
ΔH_f, kcal/mol:	-271.85
Dipole, Da:	6.82
IP(EA), eV:	-9.41(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-piperidin-1-ylsulfonylphenyl)methyl]-2,3-dihydro-1-benzothiophene-2-carboxamide

Drug info:

PubChemData

Smile

C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)CNC(=O)C3=CN=C(C=C3)OCC(F)(F)F

DOS

IR

Vibrations