Geometry & MOs

Info

ID:	427313
PubChem CID:	135156913
Reduced:	ClF3O7N9H19C21 (1)
Stoich.:	AB3C7D9E19F21 (1)
Weight, g/mol:	374.09681
ΔH_f, kcal/mol:	-289.41
Dipole, Da:	5.19
IP(EA), eV:	-9.36(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[(6-chloropyrazin-2-yl)methoxy]-N-cyclohexyl-1,3-benzothiazol-2-amine

Drug info:

PubChemData

Smile

C1=CC(=CC=C1CC(C2=NNN=N2)(C(=O)O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=NC5=C(N=C(N=C54)Cl)N)O)O)OC(F)(F)F

DOS

IR

Vibrations