Geometry & MOs

Info

ID:	201329
PubChem CID:	79525589
Reduced:	BrClOSN2H10C14 (1)
Stoich.:	ABCDE2F10G14 (1)
Weight, g/mol:	309.106647
ΔH_f, kcal/mol:	29.96
Dipole, Da:	5.28
IP(EA), eV:	-8.62(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-N-[(1-ethylpiperidin-4-yl)methyl]-1,3-benzothiazol-2-amine

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)Br)NC2=NC3=C(S2)C=C(C=C3)Cl

DOS

IR

Vibrations