Geometry & MOs

Info

ID:

425858

PubChem CID:

135128353

Reduced:

SN3F9O9H42C44 (1)

Stoich.:

AB3C9D9E42F44 (1)

Weight, g/mol:

1149.665361

ΔHf, kcal/mol:

-702.6

Dipole, Da:

5.72

IP(EA), eV:

 -8.66(-1.18)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[4-(8-oxodec-9-enoxy)phenyl] 4-[2-[2-[(E)-[hexyl-[C-methyl-N-(2-methylphenyl)carbonimidoyl]hydrazinylidene]methyl]-4-[2-oxo-2-[4-[4-(6-prop-2-enoyloxyhexoxy)phenyl]peroxycyclohexyl]ethyl]phenyl]acetyl]cyclohexane-1-carboxylate

Drug info:

PubChemData

Smile

C=CC(=O)OCCCCCCOC1=CC=C(C=C1)OC(=O)C2CCC(CC2)C(=O)OC3=CC(=C(C=C3)OC=O)/C=N/N(CCC(C(C(C(F)(F)F)(F)F)(F)F)(F)F)C4=NC5=CC=CC=C5S4

DOS

IR

Vibrations