Geometry & MOs

Info

ID:	369485
PubChem CID:	127334202
Reduced:	N3O3C20H27 (1)
Stoich.:	A3B3C20D27 (1)
Weight, g/mol:	345.172228
ΔH_f, kcal/mol:	-90.21
Dipole, Da:	2.99
IP(EA), eV:	-8.87(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,1-dioxo-1,2-thiazolidin-2-yl)-1-[4-(oxan-4-ylmethyl)piperazin-1-yl]ethanone

Drug info:

PubChemData

Smile

C1COCCC1CN2CCN(CC2)C(=O)CCC3=NC4=CC=CC=C4O3

DOS

IR

Vibrations