Geometry & MOs

Info

ID:	282707
PubChem CID:	103936804
Reduced:	BrN2C15H23 (1)
Stoich.:	AB2C15D23 (1)
Weight, g/mol:	344.94189
ΔH_f, kcal/mol:	-4.94
Dipole, Da:	1.95
IP(EA), eV:	-9.09(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-3-(1H-imidazol-5-ylsulfonylamino)benzoic acid

Drug info:

PubChemData

Smile

C[C@@H](C1CCCCCC1)NCC2=NC(=CC=C2)Br

DOS

IR

Vibrations