Geometry & MOs

Info

ID:	62918
PubChem CID:	26737618
Reduced:	BrSO2N4H19C23 (1)
Stoich.:	ABC2D4E19F23 (1)
Weight, g/mol:	309.143688
ΔH_f, kcal/mol:	49.52
Dipole, Da:	3.67
IP(EA), eV:	-9.39(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(2R)-2-(4-fluorophenyl)-3-(2-piperidin-1-ium-1-ylethyl)-1,3-thiazolidin-4-one

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=CC(=N2)C3=CN=CC=C3)C(=O)NNC(=O)CCCC4=CC=C(S4)Br

DOS

IR

Vibrations