Geometry & MOs

Info

ID:	225778
PubChem CID:	87226052
Reduced:	Cl2O2N5H17C26 (1)
Stoich.:	A2B2C5D17E26 (1)
Weight, g/mol:	409.101561
ΔH_f, kcal/mol:	97.69
Dipole, Da:	4.78
IP(EA), eV:	-8.95(-2.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(2-tert-butylphenoxy)pyridin-3-yl]-4-chloro-1,3-benzothiazol-2-amine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=C(N(C=N2)CC3=CC=C(C=C3)Cl)C\4=C5C=CC(=CC5=N/C4=C\6/NNC(=O)O6)Cl

DOS

IR

Vibrations