Geometry & MOs

Info

ID:	292224
PubChem CID:	114521186
Reduced:	BrSO2H15C17 (1)
Stoich.:	ABC2D15E17 (1)
Weight, g/mol:	267.08639
ΔH_f, kcal/mol:	1.27
Dipole, Da:	3.49
IP(EA), eV:	-8.83(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(dimethylamino)propylsulfanyl]-1,3-benzothiazol-6-amine

Drug info:

PubChemData

Smile

C1CC1OC2=CC=CC(=C2)C(=O)CSC3=CC(=CC=C3)Br

DOS

IR

Vibrations