Geometry & MOs

Info

ID:	185757
PubChem CID:	77344612
Reduced:	F3O3H27C28 (1)
Stoich.:	A3B3C27D28 (1)
Weight, g/mol:	538.26948
ΔH_f, kcal/mol:	-197.2
Dipole, Da:	2.63
IP(EA), eV:	-9.08(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[4-(2,3-difluoro-4-hexoxyphenyl)phenyl]-3-fluorophenyl]-5-pent-3-enyl-1,3-dioxane

Drug info:

PubChemData

Smile

CC=CCCC1COC(OC1)C2=CC(=C(C=C2)C3=CC=C(C=C3)C4=C(C(=C(C=C4)OC)F)F)F

DOS

IR

Vibrations