Geometry & MOs

Info

ID:	147491
PubChem CID:	53787147
Reduced:	P2C12O17H24 (1)
Stoich.:	A2B12C17D24 (1)
Weight, g/mol:	326.282095
ΔH_f, kcal/mol:	-868.08
Dipole, Da:	6.77
IP(EA), eV:	-10.71(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[(1S,2R,3R)-3-hydroxy-2-octylcyclopentyl]heptanoic acid

Drug info:

PubChemData

Smile

C([C@H]([C@H]([C@@H]([C@H](C=O)OP(=O)(O)OCC(=O)[C@H]([C@@H]([C@@H](CO)O)O)OP(=O)(O)O)O)O)O)O

DOS

IR

Vibrations