Geometry & MOs

Info

ID:	180087
PubChem CID:	76575140
Reduced:	FO4C24H35 (1)
Stoich.:	AB4C24D35 (1)
Weight, g/mol:	420.206737
ΔH_f, kcal/mol:	-247.28
Dipole, Da:	5.19
IP(EA), eV:	-9.53(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-[2-[5-(2-chlorophenyl)-3-hydroxypent-4-ynyl]-3,5-dihydroxycyclopentyl]octan-2-one

Drug info:

PubChemData

Smile

CC(=O)CCCCCCC1C(CC(C1CCC(C=CC2=CC=CC=C2F)O)O)O

DOS

IR

Vibrations