Geometry & MOs

Info

ID:

445863

PubChem CID:

135269822

Reduced:

N2O9C46H68 (1)

Stoich.:

A2B9C46D68 (1)

Weight, g/mol:

898.534347

ΔHf, kcal/mol:

-412.0

Dipole, Da:

5.88

IP(EA), eV:

 -8.76(-0.39)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[2-[[4-methyl-3-[[1-(2-methylprop-2-enoyloxy)-3-(4-nonylphenoxy)propan-2-yl]oxycarbonylamino]phenyl]carbamoyloxy]-3-(4-nonylphenoxy)propyl] 2-methylprop-2-enoate

Drug info:

PubChemData

Smile

CCCCCCCCCC1=CC=C(C=C1)OCC(COC(=O)C(=C)C)OC(=O)NC2CC3(CCC(=NC(C2)(C3)C)C(=O)OCC4CCC(CC4)COC(=O)C=C)C

DOS

IR

Vibrations