Geometry & MOs

Info

ID:	257527
PubChem CID:	103146816
Reduced:	SO2F3C10H11 (1)
Stoich.:	AB2C3D10E11 (1)
Weight, g/mol:	279.119461
ΔH_f, kcal/mol:	-222.77
Dipole, Da:	6.19
IP(EA), eV:	-9.55(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-propyl-1,2,4-triazol-3-yl)-4-(2,2,2-trifluoroethoxy)butan-2-one

Drug info:

PubChemData

Smile

CC1=CC(=CS1)C(=O)CCOCC(F)(F)F

DOS

IR

Vibrations