Geometry & MOs

Info

ID:

383068

PubChem CID:

134974576

Reduced:

O3N4H28C30 (1)

Stoich.:

A3B4C28D30 (1)

Weight, g/mol:

431.194402

ΔHf, kcal/mol:

-41.49

Dipole, Da:

5.54

IP(EA), eV:

 -8.49(-0.82)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3E)-3-[(2E,4E,6R)-1-hydroxy-4-methyl-6-[(2S,4R)-1,2,8-trimethyl-5-oxo-3,10,11-trioxatricyclo[5.3.1.02,4]undecan-9-yl]hepta-2,4-dienylidene]pyrrolidine-2,4-dione

Drug info:

PubChemData

Smile

CC1=C(C(=C(C(=O)N1C2=CC=CC=C2)C(=O)NC3=CC=CC=C3)N4CCCC4)C(=O)NC5=CC=CC=C5

DOS

IR

Vibrations