Geometry & MOs

Info

ID:	229068
PubChem CID:	87566877
Reduced:	O9C14H28 (1)
Stoich.:	A9B14C28 (1)
Weight, g/mol:	388.11246
ΔH_f, kcal/mol:	-433.55
Dipole, Da:	6.66
IP(EA), eV:	-9.98(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(2-chloropyrimidin-4-yl)oxy-N-(2-cyclohexylethyl)-1,3-benzothiazol-2-amine

Drug info:

PubChemData

Smile

CCCCOC(CC(=O)O)C(=O)O.C(COCCOCCO)O

DOS

IR

Vibrations