Geometry & MOs

Info

ID:	344471
PubChem CID:	127267647
Reduced:	SO3N5C15H21 (1)
Stoich.:	AB3C5D15E21 (1)
Weight, g/mol:	321.125946
ΔH_f, kcal/mol:	-64.28
Dipole, Da:	3.33
IP(EA), eV:	-8.9(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(SC(=O)N1CC(=O)N2CCN(CC2)CC3=NC(=NO3)C)C

DOS

IR

Vibrations