Geometry & MOs

Info

ID:	250758
PubChem CID:	103098893
Reduced:	BrSO2N6C7H7 (1)
Stoich.:	ABC2D6E7F7 (1)
Weight, g/mol:	298.9818
ΔH_f, kcal/mol:	7.7
Dipole, Da:	3.06
IP(EA), eV:	-9.34(-1.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-amino-5-bromo-1,2,4-triazol-1-yl)-5-fluorobenzamide

Drug info:

PubChemData

Smile

C1=CC(=NC=C1S(=O)(=O)N)N2C(=NC(=N2)N)Br

DOS

IR

Vibrations