Geometry & MOs

Info

ID:	310384
PubChem CID:	126579542
Reduced:	SF2N2O4H10C12 (1)
Stoich.:	AB2C2D4E10F12 (1)
Weight, g/mol:	360.093306
ΔH_f, kcal/mol:	-154.36
Dipole, Da:	4.77
IP(EA), eV:	-9.54(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propyl 2-[(1-hydroxypyrazol-3-yl)oxymethyl]-3-(trifluoromethoxy)benzoate

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1)SC(F)F)COC2=NN(C=C2)O)C(=O)O

DOS

IR

Vibrations