Geometry & MOs

Info

ID:	351608
PubChem CID:	127280500
Reduced:	O3N5C20H25 (1)
Stoich.:	A3B5C20D25 (1)
Weight, g/mol:	340.156912
ΔH_f, kcal/mol:	-79.21
Dipole, Da:	4.03
IP(EA), eV:	-9.26(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-oxo-2-[4-(2-pyrrolidin-1-ylacetyl)piperazin-1-yl]ethyl]-1,3-thiazolidin-4-one

Drug info:

PubChemData

Smile

C1CCN(C1)CC(=O)N2CCN(CC2)C(=O)CN3C4=CC=CC=C4N=CC3=O

DOS

IR

Vibrations