Geometry & MOs

Info

ID:	201338
PubChem CID:	79526447
Reduced:	ClSN2C14H17 (1)
Stoich.:	ABC2D14E17 (1)
Weight, g/mol:	268.080097
ΔH_f, kcal/mol:	15.65
Dipole, Da:	2.85
IP(EA), eV:	-9.29(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-N-hexyl-1,3-benzothiazol-2-amine

Drug info:

PubChemData

Smile

C1CC(CCC1CN)C2=NC3=C(S2)C=C(C=C3)Cl

DOS

IR

Vibrations