Geometry & MOs

Info

ID:	185586
PubChem CID:	77317017
Reduced:	FCl2O5H21C24 (1)
Stoich.:	AB2C5D21E24 (1)
Weight, g/mol:	520.263645
ΔH_f, kcal/mol:	-225.45
Dipole, Da:	3.11
IP(EA), eV:	-9.66(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

phenacyl 7-[2-(4,4-difluoro-7-methyl-3-oxooctyl)-3-hydroxy-5-oxocyclopentyl]hept-5-enoate

Drug info:

PubChemData

Smile

C1C2C(CC(=O)O2)C(C1OC(=O)C3=CC=CC=C3)C=CC(COC4=CC(=CC(=C4)Cl)Cl)F

DOS

IR

Vibrations