Geometry & MOs

Info

ID:

432490

PubChem CID:

135172623

Reduced:

FN3O5C23H34 (1)

Stoich.:

AB3C5D23E34 (1)

Weight, g/mol:

726.413169

ΔHf, kcal/mol:

-242.97

Dipole, Da:

2.24

IP(EA), eV:

 -9.2(-0.24)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[3-[2-ethyl-4-[2-methyl-4-(4-pentylcyclohexen-1-yl)phenyl]phenyl]-5-[2-[2-(hydroxymethyl)prop-2-enoyloxy]ethoxy]phenoxy]ethyl 3-hydroxy-2,2-dimethylpropanoate

Drug info:

PubChemData

Smile

CCCC[C@@H]1[C@H](CCCOC2=CC=C(C[C@H](NC1=O)C(=O)NCCCF)C=C2)C(=O)NO

DOS

IR

Vibrations