Geometry & MOs

Info

ID:	250782
PubChem CID:	103099026
Reduced:	BrN5H8C11 (1)
Stoich.:	AB5C8D11 (1)
Weight, g/mol:	326.94256
ΔH_f, kcal/mol:	101.25
Dipole, Da:	3.38
IP(EA), eV:	-8.84(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-1-(1,1-dioxo-1,2-benzothiazol-3-yl)-1,2,4-triazol-3-amine

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CN=C2N3C(=NC(=N3)N)Br

DOS

IR

Vibrations