Geometry & MOs

Info

ID:	241094
PubChem CID:	93621806
Reduced:	FN2S2O3H11C12 (1)
Stoich.:	AB2C2D3E11F12 (1)
Weight, g/mol:	314.124212
ΔH_f, kcal/mol:	-108.48
Dipole, Da:	0.91
IP(EA), eV:	-9.61(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-1-propanoyl-N-(2,3,4-trifluorophenyl)piperidine-3-carboxamide

Drug info:

PubChemData

Smile

C[C@H](C(=O)NC1=NC=CS1)S(=O)(=O)C2=CC=C(C=C2)F

DOS

IR

Vibrations