Geometry & MOs

Info

ID:	124325
PubChem CID:	50878717
Reduced:	OSN3C17H17 (1)
Stoich.:	ABC3D17E17 (1)
Weight, g/mol:	339.059009
ΔH_f, kcal/mol:	18.52
Dipole, Da:	4.51
IP(EA), eV:	-8.3(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-fluoro-N-[6-(1,2,4-triazol-4-yl)-1,3-benzothiazol-2-yl]benzamide

Drug info:

PubChemData

Smile

CC(C)C1=CC=C(C=C1)C(=O)NC2=NC3=C(S2)C=C(C=C3)N

DOS

IR

Vibrations