Geometry & MOs

Info

ID:	148195
PubChem CID:	53787857
Reduced:	O5C20H36 (1)
Stoich.:	A5B20C36 (1)
Weight, g/mol:	356.256274
ΔH_f, kcal/mol:	-281.21
Dipole, Da:	2.64
IP(EA), eV:	-9.94(0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[(1R,2R,3S,5R)-3,5-dihydroxy-2-[(3R)-3-hydroxyoct-1-enyl]cyclopentyl]heptanoic acid

Drug info:

PubChemData

Smile

CCCCCC(C=C[C@H]1[C@@H](C[C@@H]([C@@H]1CCCCCCC(=O)O)O)O)O

DOS

IR

Vibrations