Geometry & MOs

Info

ID:

381414

PubChem CID:

134972139

Reduced:

O26C39H54 (1)

Stoich.:

A26B39C54 (1)

Weight, g/mol:

396.168522

ΔHf, kcal/mol:

-1156.86

Dipole, Da:

5.27

IP(EA), eV:

 -10.24(0.09)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(Z)-(2-oxo-1,2-diphenylethylidene)-propan-2-yloxycarbonylazaniumyl]-1-propan-2-yloxymethanimidate

Drug info:

PubChemData

Smile

CC(=O)OCC1[C@H](C(C([C@@H](O1)OCC([C@H]2C(C([C@@H](O2)OC)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)O[C@H]3C(C([C@@H](C(O3)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C

DOS

IR

Vibrations