Geometry & MOs

Info

ID:	260696
PubChem CID:	103200288
Reduced:	BrSO2N4H5C10 (1)
Stoich.:	ABC2D4E5F10 (1)
Weight, g/mol:	335.96582
ΔH_f, kcal/mol:	55.06
Dipole, Da:	7.31
IP(EA), eV:	-10.01(-2.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-(3-bromo-4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylic acid

Drug info:

PubChemData

Smile

C1=C(SC(=C1)Br)C2=CC=NC3=NC(=NN23)C(=O)O

DOS

IR

Vibrations