Geometry & MOs

Info

ID:	166666
PubChem CID:	74723148
Reduced:	ClSN2O4H19C21 (1)
Stoich.:	ABC2D4E19F21 (1)
Weight, g/mol:	405.092046
ΔH_f, kcal/mol:	-86.66
Dipole, Da:	3.87
IP(EA), eV:	-9.17(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

1-[3-[5-[(2-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]propanoyl]piperidine-4-carboxylate

Drug info:

PubChemData

Smile

COC1CCC2C(C1)OC3=C(C2=O)C(N(C3=O)C4=NC=CS4)C5=CC=C(C=C5)Cl

DOS

IR

Vibrations