Geometry & MOs

Info

ID:	363016
PubChem CID:	127310041
Reduced:	O2N4C23H32 (1)
Stoich.:	A2B4C23D32 (1)
Weight, g/mol:	371.162725
ΔH_f, kcal/mol:	-26.54
Dipole, Da:	4.41
IP(EA), eV:	-8.95(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,1-dioxo-1,2-thiazolidin-2-yl)-1-[4-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]ethanone

Drug info:

PubChemData

Smile

CCC1=NOC(=N1)C(C)N2CCN(CC2)C(=O)C3(CCCC3)C4=CC=CC(=C4)C

DOS

IR

Vibrations