Geometry & MOs

Info

ID:	291616
PubChem CID:	113449598
Reduced:	BrNOC15H20 (1)
Stoich.:	ABCD15E20 (1)
Weight, g/mol:	268.093329
ΔH_f, kcal/mol:	-13.81
Dipole, Da:	3.72
IP(EA), eV:	-8.79(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-cyclohexyl-2-(4-fluorophenyl)sulfinylethanone

Drug info:

PubChemData

Smile

CC(C)(C1CC1)NCC2=CC(=CC3=C2OCC3)Br

DOS

IR

Vibrations