Geometry & MOs

Info

ID:	201368
PubChem CID:	79528350
Reduced:	BrOSN2H13C15 (1)
Stoich.:	ABCD2E13F15 (1)
Weight, g/mol:	282.095748
ΔH_f, kcal/mol:	29.03
Dipole, Da:	5.38
IP(EA), eV:	-8.42(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)OC)NC2=NC3=C(S2)C=C(C=C3)Br

DOS

IR

Vibrations