Geometry & MOs

Info

ID:	293837
PubChem CID:	117404492
Reduced:	FN2O2H13C14 (1)
Stoich.:	AB2C2D13E14 (1)
Weight, g/mol:	260.051858
ΔH_f, kcal/mol:	-47.49
Dipole, Da:	5.4
IP(EA), eV:	-9.09(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-fluoro-2-hydroxy-4-methylsulfonylphenyl)butanal

Drug info:

PubChemData

Smile

C1CC1(CC(=O)O)C2=CC(=C(C=C2)N3C=CC=N3)F

DOS

IR

Vibrations