Geometry & MOs

Info

ID:	336430
PubChem CID:	127255437
Reduced:	FNO5H6C8 (1)
Stoich.:	ABC5D6E8 (1)
Weight, g/mol:	270.013777
ΔH_f, kcal/mol:	-146.54
Dipole, Da:	5.81
IP(EA), eV:	-10.2(-2.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(1,1,2,2,2-pentafluoroethylsulfanyl)phenyl]ethanone

Drug info:

PubChemData

Smile

COC(=O)C1=C(C(=CC(=C1)O)[N+](=O)[O-])F

DOS

IR

Vibrations