Geometry & MOs

Info

ID:	13632
PubChem CID:	396349
Reduced:	FSN2H9C13 (1)
Stoich.:	ABC2D9E13 (1)
Weight, g/mol:	244.047048
ΔH_f, kcal/mol:	21.65
Dipole, Da:	4.48
IP(EA), eV:	-8.58(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(6-fluoro-1,3-benzothiazol-2-yl)aniline

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C2=NC3=C(S2)C=C(C=C3)F)N

DOS

IR

Vibrations