Geometry & MOs

Info

ID:	21515
PubChem CID:	588828
Reduced:	ClFOSH16C19 (1)
Stoich.:	ABCDE16F19 (1)
Weight, g/mol:	346.059442
ΔH_f, kcal/mol:	-41.5
Dipole, Da:	4.57
IP(EA), eV:	-9.1(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(2-chloro-6-fluorophenyl)methylsulfanyl]-5-phenylcyclohex-2-en-1-one

Drug info:

PubChemData

Smile

C1C(CC(=O)C=C1SCC2=C(C=CC=C2Cl)F)C3=CC=CC=C3

DOS

IR

Vibrations