Geometry & MOs

Info

ID:	344470
PubChem CID:	127267646
Reduced:	O3N4C21H28 (1)
Stoich.:	A3B4C21D28 (1)
Weight, g/mol:	351.136511
ΔH_f, kcal/mol:	-45.62
Dipole, Da:	3.05
IP(EA), eV:	-9.12(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,5-dimethyl-3-[2-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-one

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C2(CCOCC2)C(=O)N3CCN(CC3)CC4=NC(=NO4)C

DOS

IR

Vibrations