Geometry & MOs

Info

ID:	10521
PubChem CID:	103730
Reduced:	O7C28H50 (1)
Stoich.:	A7B28C50 (1)
Weight, g/mol:	498.355654
ΔH_f, kcal/mol:	-377.42
Dipole, Da:	4.91
IP(EA), eV:	-9.64(0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[(1R,2R,3R,5S)-3-(1-ethoxyethoxy)-2-[(3S)-3-(1-ethoxyethoxy)oct-1-enyl]-5-hydroxycyclopentyl]hept-5-enoic acid

Drug info:

PubChemData

Smile

CCCCC[C@@H](C=C[C@H]1[C@@H](C[C@@H]([C@@H]1CC=CCCCC(=O)O)O)OC(C)OCC)OC(C)OCC

DOS

IR

Vibrations