Geometry & MOs

Info

ID:	372230
PubChem CID:	131294508
Reduced:	BrFN2O2H6C9 (1)
Stoich.:	ABC2D2E6F9 (1)
Weight, g/mol:	224.078348
ΔH_f, kcal/mol:	-75.94
Dipole, Da:	4.13
IP(EA), eV:	-9.69(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-tert-butyl-6-fluoro-1,3-benzothiazol-4-amine

Drug info:

PubChemData

Smile

COC(=O)C1=CC(=C(C2=C1NC=N2)F)Br

DOS

IR

Vibrations