Geometry & MOs

Info

ID:	205157
PubChem CID:	80061879
Reduced:	SN2C18H20 (1)
Stoich.:	AB2C18D20 (1)
Weight, g/mol:	284.088244
ΔH_f, kcal/mol:	51.72
Dipole, Da:	1.26
IP(EA), eV:	-8.52(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-fluorophenyl)-(3-methylsulfonylcyclohexyl)methanone

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)C(CSC2=CC3=CC=CC=C3N2)N

DOS

IR

Vibrations