Geometry & MOs

Info

ID:	149171
PubChem CID:	53788843
Reduced:	BrN2O2H7C9 (2)
Stoich.:	AB2C2D7E9 (2)
Weight, g/mol:	492.10823
ΔH_f, kcal/mol:	-78.09
Dipole, Da:	4.7
IP(EA), eV:	-9.22(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[2-[6-[2-(4-bromophenyl)ethoxy]hexylamino]ethyl]-3-hydroxy-1,3-benzothiazol-2-one

Drug info:

PubChemData

Smile

CCOC(=O)C1=NNC2=C(C1=O)C=C(C=C2)N(C3=C(C=C(C=C3)Br)Br)C(=O)N

DOS

IR

Vibrations