Geometry & MOs

Info

ID:

389005

PubChem CID:

134990880

Reduced:

SN6O8C34H34 (1)

Stoich.:

AB6C8D34E34 (1)

Weight, g/mol:

474.279295

ΔHf, kcal/mol:

-139.25

Dipole, Da:

5.04

IP(EA), eV:

 -9.09(-1.15)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(Z)-7-[(1R,2R,3R,5S)-2-(4,4-difluoro-3-oxooctyl)-5-hydroxy-3-(oxan-2-yloxy)cyclopentyl]hept-5-enoic acid

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)COC(=O)OCCN2C(=NN=N2)SCC3=C(N4[C@@H]([C@@](C4=O)(N)OC)OC3)C(=O)OC(C5=CC=CC=C5)C6=CC=CC=C6

DOS

IR

Vibrations