Geometry & MOs

Info

ID:	150944
PubChem CID:	53790641
Reduced:	O2F8H12C17 (1)
Stoich.:	A2B8C12D17 (1)
Weight, g/mol:	665.245867
ΔH_f, kcal/mol:	-456.2
Dipole, Da:	8.31
IP(EA), eV:	-10.06(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[6-(2-fluorophenyl)hexoxy]-6-(4-nitrophenyl)sulfinyl-2,3-dipropoxynaphthalen-1-yl] acetate

Drug info:

PubChemData

Smile

CCCC1=CC(=C(C=C1)C(OC2=CC(=C(C(=C2)F)OC(F)(F)F)F)(F)F)F

DOS

IR

Vibrations