Geometry & MOs

Info

ID:	373056
PubChem CID:	131309210
Reduced:	BrN2O3H7C10 (1)
Stoich.:	AB2C3D7E10 (1)
Weight, g/mol:	238.093998
ΔH_f, kcal/mol:	-70.88
Dipole, Da:	3.93
IP(EA), eV:	-9.54(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1[C@@H](NC(=O)O1)C2=C(C=CC(=C2O)C#N)Br

DOS

IR

Vibrations