Geometry & MOs

Info

ID:	198770
PubChem CID:	79148147
Reduced:	FSN3C13H16 (1)
Stoich.:	ABC3D13E16 (1)
Weight, g/mol:	252.109648
ΔH_f, kcal/mol:	-1.14
Dipole, Da:	3.43
IP(EA), eV:	-8.72(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(6-fluoro-1,3-benzothiazol-2-yl)-3-methylpentan-1-amine

Drug info:

PubChemData

Smile

CCN1C(=CC(=N1)C)CSC2=C(C=CC(=C2)F)N

DOS

IR

Vibrations