Geometry & MOs

Info

ID:	371080
PubChem CID:	127342315
Reduced:	SO2N5C18H21 (1)
Stoich.:	AB2C5D18E21 (1)
Weight, g/mol:	350.152495
ΔH_f, kcal/mol:	-0.19
Dipole, Da:	2.23
IP(EA), eV:	-8.76(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CC1=CSC(=N1)C(C)NC(=O)N2CCN(CC2)C3=NC4=CC=CC=C4O3

DOS

IR

Vibrations