Geometry & MOs

Info

ID:	310385
PubChem CID:	126579576
Reduced:	N2F3O5C15H15 (1)
Stoich.:	A2B3C5D15E15 (1)
Weight, g/mol:	340.089306
ΔH_f, kcal/mol:	-267.83
Dipole, Da:	4.39
IP(EA), eV:	-9.16(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propan-2-yl 3-(fluoromethylsulfanyl)-2-[(1-hydroxypyrazol-3-yl)oxymethyl]benzoate

Drug info:

PubChemData

Smile

CCCOC(=O)C1=C(C(=CC=C1)OC(F)(F)F)COC2=NN(C=C2)O

DOS

IR

Vibrations