Geometry & MOs

Info

ID:	288821
PubChem CID:	104326451
Reduced:	FION3H13C15 (1)
Stoich.:	ABCD3E13F15 (1)
Weight, g/mol:	288.073262
ΔH_f, kcal/mol:	6.68
Dipole, Da:	6.43
IP(EA), eV:	-8.75(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-ethoxy-3-fluorophenyl)-1,3-benzothiazol-2-amine

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)N2C3=C(C=C(C=C3)I)N=C2N)F

DOS

IR

Vibrations