Geometry & MOs

Info

ID:	225792
PubChem CID:	87226122
Reduced:	ClNC4H10 (1)
Stoich.:	ABC4D10 (1)
Weight, g/mol:	409.101561
ΔH_f, kcal/mol:	-25.08
Dipole, Da:	4.32
IP(EA), eV:	-9.3(0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(2-tert-butylphenoxy)pyridin-3-yl]-5-chloro-1,3-benzothiazol-2-amine

Drug info:

PubChemData

Smile

CN(C)C=C.Cl

DOS

IR

Vibrations