Geometry & MOs

Info

ID:	310383
PubChem CID:	126579525
Reduced:	F2N3O3H9C12 (1)
Stoich.:	A2B3C3D9E12 (1)
Weight, g/mol:	316.032934
ΔH_f, kcal/mol:	-61.15
Dipole, Da:	1.38
IP(EA), eV:	-9.52(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(difluoromethylsulfanyl)-2-[(1-hydroxypyrazol-3-yl)oxymethyl]benzoic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations