Geometry & MOs

Info

ID:

425860

PubChem CID:

135128361

Reduced:

SN3O10C44H51 (1)

Stoich.:

AB3C10D44E51 (1)

Weight, g/mol:

685.25702

ΔHf, kcal/mol:

-309.21

Dipole, Da:

4.76

IP(EA), eV:

 -8.64(-1.0)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-O-[4-methyl-2-[(E)-([1,3]thiazolo[4,5-b]pyrazin-2-ylhydrazinylidene)methyl]phenyl] 1-O-[4-(6-prop-2-enoyloxyhexoxy)phenyl] cyclohexane-1,4-dicarboxylate

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)OC(=O)C2CCC(CC2)C(=O)OC3=CC=C(C=C3)OCCCCCCOC(=O)C=C)/C=N/N(CCC4OCCCO4)C5=NC6=CC=CC=C6S5

DOS

IR

Vibrations