Geometry & MOs

Info

ID:	350303
PubChem CID:	127277381
Reduced:	O2N4C19H32 (1)
Stoich.:	A2B4C19D32 (1)
Weight, g/mol:	399.172896
ΔH_f, kcal/mol:	-69.39
Dipole, Da:	4.72
IP(EA), eV:	-8.51(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1,3-benzothiazol-2-yl(methyl)amino]-1-[3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]ethanone

Drug info:

PubChemData

Smile

CC1CCC(N1C(C)C(=O)N2CCCC(C2)C3=NOC(=N3)C(C)C)C

DOS

IR

Vibrations