Geometry & MOs

Info

ID:	60939
PubChem CID:	26703371
Reduced:	ClSN4O5C20H21 (1)
Stoich.:	ABC4D5E20F21 (1)
Weight, g/mol:	404.120607
ΔH_f, kcal/mol:	-162.89
Dipole, Da:	3.45
IP(EA), eV:	-8.67(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-N-(2-acetylphenyl)-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide

Drug info:

PubChemData

Smile

C[C@@H]1CN(C[C@@H](O1)C)S(=O)(=O)C2=C(C=CC(=C2)C(=O)NC3=CC4=C(C=C3)NC(=O)N4)Cl

DOS

IR

Vibrations