Geometry & MOs

Info

ID:	201367
PubChem CID:	79528349
Reduced:	BrSN2C11H11 (1)
Stoich.:	ABC2D11E11 (1)
Weight, g/mol:	347.9932
ΔH_f, kcal/mol:	50.35
Dipole, Da:	3.8
IP(EA), eV:	-8.79(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-bromo-N-(4-methoxy-2-methylphenyl)-1,3-benzothiazol-2-amine

Drug info:

PubChemData

Smile

C1CC(C1)NC2=NC3=C(S2)C=C(C=C3)Br

DOS

IR

Vibrations