Geometry & MOs

Info

ID:	201365
PubChem CID:	79528143
Reduced:	ClOSN2C8H9 (1)
Stoich.:	ABCD2E8F9 (1)
Weight, g/mol:	254.064447
ΔH_f, kcal/mol:	-33.16
Dipole, Da:	5.4
IP(EA), eV:	-8.52(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(6-chloro-1,3-benzothiazol-2-yl)-2-methylbutan-1-amine

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1Cl)SCC(=O)N)N

DOS

IR

Vibrations