Geometry & MOs

Info

ID:	227171
PubChem CID:	87560419
Reduced:	O2N3C28H33 (1)
Stoich.:	A2B3C28D33 (1)
Weight, g/mol:	455.052702
ΔH_f, kcal/mol:	-3.4
Dipole, Da:	3.2
IP(EA), eV:	-8.57(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(trifluoromethoxy)phenyl]-6-[3-(trifluoromethyl)pyridin-2-yl]-1,2-benzothiazol-3-amine

Drug info:

PubChemData

Smile

COC1=CC=CC2=C(C=CN=C21)C(CN3C4CCC3CC(C4)NC/C=C/C5=CC=CC=C5)O

DOS

IR

Vibrations