Geometry & MOs

Info

ID:	369618
PubChem CID:	127334898
Reduced:	SO2N5C17H25 (1)
Stoich.:	AB2C5D17E25 (1)
Weight, g/mol:	385.178376
ΔH_f, kcal/mol:	-9.46
Dipole, Da:	2.71
IP(EA), eV:	-8.9(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C)C1=NC(=NO1)CN2CCN(CC2)C(=O)CCC3=NC=CS3

DOS

IR

Vibrations