Geometry & MOs

Info

ID:	201268
PubChem CID:	79517053
Reduced:	ClOSN5H6C8 (1)
Stoich.:	ABCD5E6F8 (1)
Weight, g/mol:	318.059362
ΔH_f, kcal/mol:	39.53
Dipole, Da:	6.04
IP(EA), eV:	-8.67(-1.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(2-chlorophenyl)ethyl]-6-methoxy-1,3-benzothiazol-2-amine

Drug info:

PubChemData

Smile

C1=CC(=NC=C1Cl)C(=O)NC2=NN=C(S2)N

DOS

IR

Vibrations