Geometry & MOs

Info

ID:	13633
PubChem CID:	396351
Reduced:	ClFSN2H8C13 (1)
Stoich.:	ABCD2E8F13 (1)
Weight, g/mol:	278.008075
ΔH_f, kcal/mol:	13.37
Dipole, Da:	3.71
IP(EA), eV:	-8.69(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations