Geometry & MOs

Info

ID:	307388
PubChem CID:	125299759
Reduced:	O5C18H30 (1)
Stoich.:	A5B18C30 (1)
Weight, g/mol:	326.209324
ΔH_f, kcal/mol:	-245.95
Dipole, Da:	6.66
IP(EA), eV:	-10.3(0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-5-[(1S,2S,3R,5S)-3,5-dihydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentyl]pent-3-enoic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations