Geometry & MOs

Info

ID:	11380
PubChem CID:	114865
Reduced:	O4C21H34 (1)
Stoich.:	A4B21C34 (1)
Weight, g/mol:	350.24571
ΔH_f, kcal/mol:	-196.08
Dipole, Da:	2.55
IP(EA), eV:	-9.61(0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[(1S,4R,5S,6R)-5-[(3S)-3-hydroxyoct-1-enyl]-2-oxabicyclo[2.2.1]heptan-6-yl]hept-5-enoic acid

Drug info:

PubChemData

Smile

CCCCC[C@@H](C=C[C@H]1[C@H]2C[C@@H]([C@@H]1CC=CCCCC(=O)O)OC2)O

DOS

IR

Vibrations