Geometry & MOs

Info

ID:

406627

PubChem CID:

135078191

Reduced:

NPCl3O11C45H51 (1)

Stoich.:

ABC3D11E45F51 (1)

Weight, g/mol:

593.260037

ΔHf, kcal/mol:

-478.79

Dipole, Da:

7.07

IP(EA), eV:

 -9.07(-0.63)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[4-(2,2-dimethylpropanoyloxy)-2-methyl-5-phenylmethoxy-6-[N-phenyl-C-(trifluoromethyl)carbonimidoyl]oxyoxan-3-yl] 2,2-dimethylpropanoate

Drug info:

PubChemData

Smile

CCCCOP(=O)(OCCCC)OC1C(C(C(C(O1)COCC2=CC=CC=C2)OCC3=CC=CC=C3)OC(=O)OCC4C5=CC=CC=C5C6=CC=CC=C46)NC(=O)C(Cl)(Cl)Cl

DOS

IR

Vibrations