Geometry & MOs

Info

ID:	25085
PubChem CID:	618846
Reduced:	FO3H11C14 (2)
Stoich.:	AB3C11D14 (2)
Weight, g/mol:	492.138445
ΔH_f, kcal/mol:	-234.14
Dipole, Da:	5.31
IP(EA), eV:	-9.72(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-(3-fluorophenyl)-1-[2-(3-fluorophenyl)ethenyl]-5-methoxy-8-(4-methoxy-6-oxopyran-2-yl)-2-oxabicyclo[4.2.0]oct-4-en-3-one

Drug info:

PubChemData

Smile

COC1=CC(=O)OC(=C1)C2C(C3C2(OC(=O)C=C3OC)C=CC4=CC(=CC=C4)F)C5=CC(=CC=C5)F

DOS

IR

Vibrations