Geometry & MOs

Info

ID:	89818
PubChem CID:	49964833
Reduced:	FO5H21C26 (1)
Stoich.:	AB5C21D26 (1)
Weight, g/mol:	462.147867
ΔH_f, kcal/mol:	-184.98
Dipole, Da:	6.52
IP(EA), eV:	-9.06(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(1,8-dioxo-3,4,5,6,7,9-hexahydro-2H-xanthen-9-yl)-2-methoxyphenyl] 4-fluorobenzoate

Drug info:

PubChemData

Smile

C1CC2=C(C(C3=C(O2)CCCC3=O)C4=CC=C(C=C4)OC(=O)C5=CC=C(C=C5)F)C(=O)C1

DOS

IR

Vibrations