Geometry & MOs

Info

ID:

163405

PubChem CID:

57936654

Reduced:

NO5C20H29 (1)

Stoich.:

AB5C20D29 (1)

Weight, g/mol:

794.326204

ΔHf, kcal/mol:

-183.6

Dipole, Da:

8.44

IP(EA), eV:

 -9.64(-0.02)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[2-(2-methylprop-2-enoyloxymethylcarbamoyloxy)-3-[4-[2-[4-[3-(2-methylprop-2-enoyloxy)-2-(2-methylprop-2-enoyloxymethylcarbamoyloxy)propoxy]phenyl]propan-2-yl]phenoxy]propyl] 2-methylprop-2-enoate

Drug info:

PubChemData

Smile

CCC[C@H](C[C@@H](C)C(=O)N1[C@H]2CCCC[C@H]2C[C@H]1C(=O)O)C(=O)C#CO

DOS

IR

Vibrations