Geometry & MOs

Info

ID:

432531

PubChem CID:

135172664

Reduced:

S2F3O4C31H35 (1)

Stoich.:

A2B3C4D31E35 (1)

Weight, g/mol:

626.325497

ΔHf, kcal/mol:

-290.37

Dipole, Da:

1.84

IP(EA), eV:

 -9.1(-0.82)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[3-[3-fluoro-4-[4-[(E)-pent-3-enyl]cyclohexyl]phenyl]-5-[2-[2-(hydroxymethyl)prop-2-enoyloxy]ethoxy]phenoxy]ethyl 3-hydroxy-2,2-dimethylpropanoate

Drug info:

PubChemData

Smile

C=C(CS)C(=O)OC1=CC(=CC(=C1)C2=CC=C(C=C2)C3CCC(CC3)CCCCC(F)(F)F)OC(=O)C(=C)CS

DOS

IR

Vibrations