Geometry & MOs

Info

ID:	205180
PubChem CID:	80065546
Reduced:	FNOSC14H16 (1)
Stoich.:	ABCDE14F16 (1)
Weight, g/mol:	224.067114
ΔH_f, kcal/mol:	-51.99
Dipole, Da:	2.71
IP(EA), eV:	-8.72(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-fluorophenyl)sulfanylcyclohexan-1-one

Drug info:

PubChemData

Smile

CC1=CC=C(O1)C(C(C)N)SC2=CC=CC(=C2)F

DOS

IR

Vibrations