Geometry & MOs

Info

ID:	201277
PubChem CID:	79518250
Reduced:	ClOSN2C13H13 (1)
Stoich.:	ABCD2E13F13 (1)
Weight, g/mol:	251.109233
ΔH_f, kcal/mol:	7.32
Dipole, Da:	3.81
IP(EA), eV:	-8.37(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(6-methoxy-1,3-benzothiazol-2-yl)-N',N'-dimethylethane-1,2-diamine

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)N)SCC2=CN=C(C=C2)Cl

DOS

IR

Vibrations