Geometry & MOs

Info

ID:	50919
PubChem CID:	12013512
Reduced:	SO2N5H13C18 (1)
Stoich.:	AB2C5D13E18 (1)
Weight, g/mol:	196.089958
ΔH_f, kcal/mol:	105.81
Dipole, Da:	10.96
IP(EA), eV:	-8.48(-2.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3-fluorophenyl)-4-hydroxy-3-methylbutan-2-one

Drug info:

PubChemData

Smile

CC(=O)C1=NN(/C(=N/NC2=C3C=CC=CC3=NC2=O)/S1)C4=CC=CC=C4

DOS

IR

Vibrations