Geometry & MOs

Info

ID:	311682
PubChem CID:	126596868
Reduced:	OSCl2F6H18C30 (1)
Stoich.:	ABC2D6E18F30 (1)
Weight, g/mol:	392.311287
ΔH_f, kcal/mol:	-241.78
Dipole, Da:	4.23
IP(EA), eV:	-8.87(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethyl-6-methyl-4,6-dioctyl-5-sulfanylcyclohexa-2,4-dien-1-one

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1)S(=O)C2=CC=CC(=C2C3=CC=C(C=C3)Cl)C=CC(F)(F)F)C4=CC=C(C=C4)Cl)C=CC(F)(F)F

DOS

IR

Vibrations