Geometry & MOs

Info

ID:	440822
PubChem CID:	135231674
Reduced:	SF3O3N4C16H19 (1)
Stoich.:	AB3C3D4E16F19 (1)
Weight, g/mol:	522.221324
ΔH_f, kcal/mol:	-217.73
Dipole, Da:	7.57
IP(EA), eV:	-9.25(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-(2-fluoropropan-2-yloxy)phenyl]-5-[5-methyl-1-[[2-(4-methylsulfanylpiperidin-1-yl)pyridin-4-yl]methyl]-1,2,4-triazol-3-yl]-1,2-oxazole

Drug info:

PubChemData

Smile

CC1=NC(=NN1CC2=CC(=CC=C2)OCCO)C(=N)SC(C)OC(F)(F)F

DOS

IR

Vibrations