Geometry & MOs

Info

ID:

312242

PubChem CID:

126603812

Reduced:

O5C22H38 (1)

Stoich.:

A5B22C38 (1)

Weight, g/mol:

514.254223

ΔHf, kcal/mol:

-259.94

Dipole, Da:

2.41

IP(EA), eV:

 -9.77(0.59)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

propan-2-yl (Z)-7-[(1R,2R,3R,5S)-5-hydroxy-2-[(E,3R)-3-hydroxy-4-[3-(trifluoromethyl)phenoxy]but-1-enyl]-3-methoxycyclopentyl]hept-5-enoate

Drug info:

PubChemData

Smile

CCCCC[C@@](C)(/C=C/[C@H]1[C@@H](C[C@@H]([C@@H]1C/C=C\CCCC(=O)O)O)O)OC

DOS

IR

Vibrations