Geometry & MOs

Info

ID:	201363
PubChem CID:	79528020
Reduced:	ClSN2C12H17 (1)
Stoich.:	ABC2D12E17 (1)
Weight, g/mol:	324.02958
ΔH_f, kcal/mol:	0.89
Dipole, Da:	2.74
IP(EA), eV:	-8.59(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-bromo-N-[(1-methylcyclopentyl)methyl]-1,3-benzothiazol-2-amine

Drug info:

PubChemData

Smile

C1CCNC(C1)CSC2=C(C=CC(=C2)Cl)N

DOS

IR

Vibrations