Geometry & MOs

Info

ID:	57852
PubChem CID:	24277802
Reduced:	BrNOH10C11 (1)
Stoich.:	ABCD10E11 (1)
Weight, g/mol:	343.062677
ΔH_f, kcal/mol:	17.27
Dipole, Da:	2.75
IP(EA), eV:	-8.94(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-(benzenesulfonyl)-5-methyltriazol-1-yl]benzoic acid

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)Br)C2=CC=C(O2)CN

DOS

IR

Vibrations