Geometry & MOs

Info

ID:	250783
PubChem CID:	103099034
Reduced:	BrSO2N5H6C9 (1)
Stoich.:	ABC2D5E6F9 (1)
Weight, g/mol:	332.00212
ΔH_f, kcal/mol:	35.81
Dipole, Da:	7.2
IP(EA), eV:	-9.52(-1.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=NS2(=O)=O)N3C(=NC(=N3)N)Br

DOS

IR

Vibrations