Geometry & MOs

Info

ID:

432488

PubChem CID:

135172621

Reduced:

FN3O6C30H40 (1)

Stoich.:

AB3C6D30E40 (1)

Weight, g/mol:

700.397519

ΔHf, kcal/mol:

-256.5

Dipole, Da:

4.21

IP(EA), eV:

 -9.21(-0.26)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[3-[2-[2-(hydroxymethyl)prop-2-enoyloxy]ethoxy]-5-[4-[2-methyl-4-(4-pentylcyclohexyl)phenyl]phenyl]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)NCC3=CC=C(C=C3)OCCCF)C=C2)C(=O)NO

DOS

IR

Vibrations