Geometry & MOs

Info

ID:	156621
PubChem CID:	56371389
Reduced:	SN3O6C21H31 (1)
Stoich.:	AB3C6D21E31 (1)
Weight, g/mol:	439.190518
ΔH_f, kcal/mol:	-164.52
Dipole, Da:	9.71
IP(EA), eV:	-8.75(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-[1-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl]piperidin-4-yl]ethyl]morpholine

Drug info:

PubChemData

Smile

CN(C)S(=O)(=O)C1=CC=C(O1)CN2CCN(CC2)CC3=C(C(=C(C=C3)OC)OC)OC

DOS

IR

Vibrations