Geometry & MOs

Info

ID:	61896
PubChem CID:	26715481
Reduced:	ClN2S2O3C17H19 (1)
Stoich.:	AB2C2D3E17F19 (1)
Weight, g/mol:	452.141736
ΔH_f, kcal/mol:	-92.62
Dipole, Da:	6.42
IP(EA), eV:	-9.25(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-1-(4-fluorophenyl)sulfonyl-N-(3,4,5-trimethoxyphenyl)piperidine-3-carboxamide

Drug info:

PubChemData

Smile

CNS(=O)(=O)C1=CC=C(C=C1)NC(=O)CCCSC2=CC=C(C=C2)Cl

DOS

IR

Vibrations