Geometry & MOs

Info

ID:	351516
PubChem CID:	127280404
Reduced:	O3N4C22H30 (1)
Stoich.:	A3B4C22D30 (1)
Weight, g/mol:	358.167477
ΔH_f, kcal/mol:	-85.86
Dipole, Da:	9.05
IP(EA), eV:	-9.21(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)acetyl]piperazin-1-yl]-2-pyrrolidin-1-ylethanone

Drug info:

PubChemData

Smile

CN(C1=CC=CC=C1C(=O)N2CCN(CC2)C(=O)CN3CCCC3)C(=O)C4CC4

DOS

IR

Vibrations