Geometry & MOs

Info

ID:	124326
PubChem CID:	50878725
Reduced:	FOSN5H10C16 (1)
Stoich.:	ABCD5E10F16 (1)
Weight, g/mol:	355.029459
ΔH_f, kcal/mol:	43.42
Dipole, Da:	11.03
IP(EA), eV:	-9.23(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)F)C(=O)NC2=NC3=C(S2)C=C(C=C3)N4C=NN=C4

DOS

IR

Vibrations