Geometry & MOs

Info

ID:	50253
PubChem CID:	12012769
Reduced:	SF3O3N4C7H9 (1)
Stoich.:	AB3C3D4E7F9 (1)
Weight, g/mol:	188.030981
ΔH_f, kcal/mol:	-205.88
Dipole, Da:	11.77
IP(EA), eV:	-9.92(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine

Drug info:

PubChemData

Smile

CS(=O)(=O)[C@@H]1C[C@](N=C2N1NC=N2)(C(F)(F)F)O

DOS

IR

Vibrations