Geometry & MOs

Info

ID:	303600
PubChem CID:	124489948
Reduced:	O3C10H16 (2)
Stoich.:	A3B10C16 (2)
Weight, g/mol:	368.219889
ΔH_f, kcal/mol:	-295.66
Dipole, Da:	2.82
IP(EA), eV:	-10.03(0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-7-[(2S,3S,4S)-4-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]-6-oxooxan-3-yl]hept-5-enoic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations