Geometry & MOs

Info

ID:	154961
PubChem CID:	56314518
Reduced:	FSN3O3C21H22 (1)
Stoich.:	ABC3D3E21F22 (1)
Weight, g/mol:	474.119561
ΔH_f, kcal/mol:	-91.51
Dipole, Da:	10.07
IP(EA), eV:	-8.29(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(benzenesulfonyl)-N-[5-fluoro-2-(1-methylimidazol-2-yl)sulfanylphenyl]piperidine-3-carboxamide

Drug info:

PubChemData

Smile

CN1C=CN=C1SC2=C(C=C(C=C2)F)NC(=O)CCC3=C(C(=CC=C3)OC)OC

DOS

IR

Vibrations