Geometry & MOs

Info

ID:

395339

PubChem CID:

135025214

Reduced:

NPO3C13H16 (1)

Stoich.:

ABC3D13E16 (1)

Weight, g/mol:

731.460847

ΔHf, kcal/mol:

-128.36

Dipole, Da:

4.0

IP(EA), eV:

 -9.68(-0.72)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

dimethyl 1-[[[(1S,19S)-19-(2-methoxy-2-oxoethyl)-17-(3-methoxy-3-oxopropyl)-2,16-dimethylcycloicosanecarbonyl]amino]methyl]-7-oxabicyclo[2.2.1]hepta-2,5-diene-2,3-dicarboxylate

Drug info:

PubChemData

Smile

CCOP(=O)(C(=C)C1=CC=C(C=C1)C#N)OCC

DOS

IR

Vibrations