Geometry & MOs

Info

ID:	61300
PubChem CID:	26708056
Reduced:	ClS2N3O3C20H22 (1)
Stoich.:	AB2C3D3E20F22 (1)
Weight, g/mol:	444.074441
ΔH_f, kcal/mol:	-50.25
Dipole, Da:	8.14
IP(EA), eV:	-9.13(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide

Drug info:

PubChemData

Smile

CCN(CC1=CC=C(S1)Cl)C(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N

DOS

IR

Vibrations