Geometry & MOs

Info

ID:	189946
PubChem CID:	77930466
Reduced:	NOC21H29 (1)
Stoich.:	ABC21D29 (1)
Weight, g/mol:	450.205381
ΔH_f, kcal/mol:	-36.61
Dipole, Da:	2.17
IP(EA), eV:	-8.57(0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[2-[4-(6-fluoro-6,7-dihydro-1-benzofuran-2-yl)-3-hydroxy-4-oxobutyl]-5-hydroxy-3-oxocyclopentyl]heptanoic acid

Drug info:

PubChemData

Smile

CCCC(C)COC1=CC=C(C=C1)C(C2=C(C=C(C=C2)C)C)N

DOS

IR

Vibrations