Geometry & MOs

Info

ID:	159169
PubChem CID:	57264287
Reduced:	NOC10H19 (1)
Stoich.:	ABC10D19 (1)
Weight, g/mol:	389.048857
ΔH_f, kcal/mol:	-68.56
Dipole, Da:	3.19
IP(EA), eV:	-8.91(0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[4-[(6-chloro-1,3-benzothiazol-2-yl)oxy]phenoxy]hexane-2,4-dione

Drug info:

PubChemData

Smile

C1CCC(=O)CCCCNCC1

DOS

IR

Vibrations