Geometry & MOs

Info

ID:	263306
PubChem CID:	103354418
Reduced:	BrSN4O4C11H13 (1)
Stoich.:	ABC4D4E11F13 (1)
Weight, g/mol:	358.96877
ΔH_f, kcal/mol:	-79.72
Dipole, Da:	2.22
IP(EA), eV:	-9.05(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(5-bromo-3-methyltriazol-4-yl)sulfonylamino]benzamide

Drug info:

PubChemData

Smile

CN1C(=C(N=N1)Br)S(=O)(=O)NC2=CC(=CC(=C2)OC)OC

DOS

IR

Vibrations