Geometry & MOs

Info

ID:	323078
PubChem CID:	126672134
Reduced:	NSC16H19 (1)
Stoich.:	ABC16D19 (1)
Weight, g/mol:	334.96156
ΔH_f, kcal/mol:	29.12
Dipole, Da:	4.51
IP(EA), eV:	-8.56(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-bromo-2-(4-methoxyphenoxy)-1,3-benzothiazole

Drug info:

PubChemData

Smile

CCC1=C(C=C(C=C1)SC2=CC=CC=N2)C(C)C

DOS

IR

Vibrations