Geometry & MOs

Info

ID:	225797
PubChem CID:	87226157
Reduced:	SCl2N3O6H23C25 (1)
Stoich.:	AB2C3D6E23F25 (1)
Weight, g/mol:	423.117211
ΔH_f, kcal/mol:	-189.33
Dipole, Da:	2.59
IP(EA), eV:	-8.77(-2.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(2-tert-butylphenoxy)pyridin-3-yl]-7-chloro-6-methyl-1,3-benzothiazol-2-amine

Drug info:

PubChemData

Smile

COC1=C(C=C2C(=C1)C3=C(C4=CC5=C(C=C4C3=O)OCO5)N(C2=O)CCCNC6=NC=CS6)OC.Cl.Cl

DOS

IR

Vibrations