Geometry & MOs

Info

ID:	1732
PubChem CID:	4959
Reduced:	O5C21H33 (1)
Stoich.:	A5B21C33 (1)
Weight, g/mol:	365.232799
ΔH_f, kcal/mol:	-235.3
Dipole, Da:	5.99
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.755577
Charge, e:	-1

Chem-info

IUPAC name:

6-[5-hydroxy-4-(3-hydroxyoct-1-enyl)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-ylidene]hexanoate

Drug info:

PubChemData

Smile

CCCCCC(C=CC1C(CC2C1CC(=CCCCCC(=O)[O-])O2)O)O

DOS

IR

Vibrations