Geometry & MOs

Info

ID:	126743
PubChem CID:	50976353
Reduced:	NSF3O5C14H16 (1)
Stoich.:	ABC3D5E14F16 (1)
Weight, g/mol:	295.14331
ΔH_f, kcal/mol:	-352.17
Dipole, Da:	2.04
IP(EA), eV:	-9.98(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[5-cyclopropyl-2-(3-methylpyridin-4-yl)-1,2,4-triazol-3-yl]methyl]-3-methyl-1,2-oxazole

Drug info:

PubChemData

Smile

COC(=O)[C@H]1C[C@H](CCN1S(=O)(=O)C2=CC=C(C=C2)C(F)(F)F)O

DOS

IR

Vibrations