Geometry & MOs

Info

ID:	399242
PubChem CID:	135039072
Reduced:	FO3H13C15 (1)
Stoich.:	AB3C13D15 (1)
Weight, g/mol:	271.154549
ΔH_f, kcal/mol:	-119.31
Dipole, Da:	2.93
IP(EA), eV:	-9.19(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

methyl (4S)-3-oxidooxy-2-oxo-4-[(1R,3R)-2,2,3-trimethylcyclopentyl]pentanoate

Drug info:

PubChemData

Smile

C1C2=CC=CC=C2COC(O1)C3=C(C(=CC=C3)O)F

DOS

IR

Vibrations