Geometry & MOs

Info

ID:

188011

PubChem CID:

77653723

Reduced:

FO2N5C19H22 (1)

Stoich.:

AB2C5D19E22 (1)

Weight, g/mol:

726.431893

ΔHf, kcal/mol:

-36.22

Dipole, Da:

7.52

IP(EA), eV:

 -9.06(-1.79)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

sodium;5-[5-hydroxy-4-(3-hydroxyoct-1-enyl)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-ylidene]pentanoate;5-[5-hydroxy-4-(3-hydroxyoct-1-enyl)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-ylidene]pentanoic acid

Drug info:

PubChemData

Smile

CC1=C(C(C=C2C1=NC(=O)N(C2=O)C3CC3)F)N4CCC(C4)C(CC#N)N

DOS

IR

Vibrations