Geometry & MOs

Info

ID:

425865

PubChem CID:

135128377

Reduced:

O5C22H26 (1)

Stoich.:

A5B22C26 (1)

Weight, g/mol:

1276.547631

ΔHf, kcal/mol:

-167.26

Dipole, Da:

6.31

IP(EA), eV:

 -9.2(-0.65)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-O-[2-[2-[(E)-[4,5-dihydro-1,3-benzothiazol-2-yl(phenylcarbamothioyl)hydrazinylidene]methyl]-4-[4-[4-(6-prop-2-enoyloxyhexoxy)phenoxy]carbonylcyclohexanecarbonyl]oxyphenyl]ethyl] 4-O-[4-(9-prop-2-enoyloxynonyl)phenyl] cyclohexane-1,4-dicarboxylate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)OC(=O)C2=CC=C(C=C2)OCCCCCCOC)C=O

DOS

IR

Vibrations