Geometry & MOs

Info

ID:	178443
PubChem CID:	76331295
Reduced:	SF3O3N4H19C26 (1)
Stoich.:	AB3C3D4E19F26 (1)
Weight, g/mol:	289.92801
ΔH_f, kcal/mol:	-125.92
Dipole, Da:	5.46
IP(EA), eV:	-9.19(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-bromoethyl)-6-chloro-1,3-benzothiazol-2-amine

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2=NC3=C(C(=C2)C(F)(F)F)C(=NN3C4=CC=C(C=C4)S(=O)(=O)N)C5=CC=CC=C5

DOS

IR

Vibrations