Geometry & MOs

Info

ID:

328399

PubChem CID:

126705882

Reduced:

N2O3C24H46 (1)

Stoich.:

A2B3C24D46 (1)

Weight, g/mol:

780.515189

ΔHf, kcal/mol:

-228.88

Dipole, Da:

5.42

IP(EA), eV:

 -9.26(0.67)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(5,6,7,8-tetraethyl-9-methylundecyl) (Z)-7-[(1R,2R,3R,5S)-5-acetyloxy-3-hydroxy-2-[(E,3R)-3-hydroxy-4-[3-(trifluoromethyl)phenoxy]but-1-enyl]cyclopentyl]hept-5-enoate

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCC(=O)N1CCN(CC1)C(=O)OC(C)(C)C

DOS

IR

Vibrations