Geometry & MOs

Info

ID:	133946
PubChem CID:	51617783
Reduced:	O2N5C28H29 (1)
Stoich.:	A2B5C28D29 (1)
Weight, g/mol:	352.088651
ΔH_f, kcal/mol:	3.78
Dipole, Da:	4.92
IP(EA), eV:	-8.72(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(5E)-5-[(4-chlorophenyl)methylidene]-3-[(4-methylpiperazin-4-ium-1-yl)methyl]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

CCN1C=C(C=N1)[C@H]2C3=C(C[C@@H](CC3=O)C4=CC=CC=C4)NC(=C2C(=O)NC5=NC=CC(=C5)C)C

DOS

IR

Vibrations