Geometry & MOs

Info

ID:	250686
PubChem CID:	103098308
Reduced:	BrSN4O4H5C8 (1)
Stoich.:	ABC4D4E5F8 (1)
Weight, g/mol:	340.97597
ΔH_f, kcal/mol:	3.5
Dipole, Da:	7.05
IP(EA), eV:	-10.29(-1.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 6-[(5-bromo-3-nitro-1,2,4-triazol-1-yl)methyl]pyridine-3-carboxylate

Drug info:

PubChemData

Smile

C1=C(SC(=C1)C(=O)O)CN2C(=NC(=N2)[N+](=O)[O-])Br

DOS

IR

Vibrations