Geometry & MOs

Info

ID:	225799
PubChem CID:	87226194
Reduced:	N2O3C8H10 (1)
Stoich.:	A2B3C8D10 (1)
Weight, g/mol:	467.166748
ΔH_f, kcal/mol:	-78.85
Dipole, Da:	3.23
IP(EA), eV:	-9.56(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN(C(=O)C1=CNC(=O)C=C1)O

DOS

IR

Vibrations