Geometry & MOs

Info

ID:	449803
PubChem CID:	135301658
Reduced:	OSF3N5C20H24 (1)
Stoich.:	ABC3D5E20F24 (1)
Weight, g/mol:	446.175202
ΔH_f, kcal/mol:	-159.51
Dipole, Da:	4.48
IP(EA), eV:	-8.76(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-5-[[2-[2-methyl-6-(trifluoromethyl)pyridin-4-yl]-2,7-diazaspiro[4.4]nonan-7-yl]methyl]-1,3-benzothiazole

Drug info:

PubChemData

Smile

CC1=CC(=CC(=N1)C(F)(F)F)N2CCC3(C2)CCN(C3)CC4=CN=C(S4)NC(=O)C

DOS

IR

Vibrations