Geometry & MOs

Info

ID:	151269
PubChem CID:	53790969
Reduced:	ClO4C12H15 (1)
Stoich.:	AB4C12D15 (1)
Weight, g/mol:	394.215552
ΔH_f, kcal/mol:	-165.31
Dipole, Da:	1.43
IP(EA), eV:	-9.64(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[(1R,2R,3R,5R)-5-fluoro-3-hydroxy-2-[(3R)-3-hydroxy-4-phenoxybut-1-enyl]cyclopentyl]heptanoic acid

Drug info:

PubChemData

Smile

CC(=O)OC(COCCO)C1=CC(=CC=C1)Cl

DOS

IR

Vibrations