Geometry & MOs

Info

ID:	185761
PubChem CID:	77344625
Reduced:	O2F3C32H35 (1)
Stoich.:	A2B3C32D35 (1)
Weight, g/mol:	592.352815
ΔH_f, kcal/mol:	-187.77
Dipole, Da:	2.51
IP(EA), eV:	-9.26(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-decyl-2-[4-[4-(2,3-difluoro-4-hex-2-enylphenyl)phenyl]-3-fluorophenyl]-1,3-dioxane

Drug info:

PubChemData

Smile

CCCCCC1COC(OC1)C2=CC(=C(C=C2)C3=CC=C(C=C3)C4=C(C(=C(C=C4)CC=CCC)F)F)F

DOS

IR

Vibrations