Geometry & MOs

Info

ID:

425857

PubChem CID:

135128337

Reduced:

O5C23H32 (1)

Stoich.:

A5B23C32 (1)

Weight, g/mol:

959.249805

ΔHf, kcal/mol:

-213.07

Dipole, Da:

3.67

IP(EA), eV:

 -8.54(-0.35)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-O-[3-[(E)-[1,3-benzothiazol-2-yl(3,3,4,4,5,5,6,6,6-nonafluorohexyl)hydrazinylidene]methyl]-4-formyloxyphenyl] 1-O-[4-(6-prop-2-enoyloxyhexoxy)phenyl] cyclohexane-1,4-dicarboxylate

Drug info:

PubChemData

Smile

CC1CCC(CC1)C(=O)OC2=CC=C(C=C2)OCCCCCCOC(=O)C=C

DOS

IR

Vibrations