Geometry & MOs

Info

ID:

215121

PubChem CID:

85084189

Reduced:

PN3O9C37H46 (1)

Stoich.:

AB3C9D37E46 (1)

Weight, g/mol:

707.294176

ΔHf, kcal/mol:

-396.13

Dipole, Da:

4.03

IP(EA), eV:

 -9.76(-0.28)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[2,7-diacetyloxy-8-benzoyloxy-6-hydroxy-5,5,9,13-tetramethyl-12-(methylaminomethyl)-14-oxo-15,16-dioxatetracyclo[11.2.1.01,10.04,9]hexadecan-11-yl] benzoate

Drug info:

PubChemData

Smile

CC(C)C(C(=O)NC(C)C(=O)NC(CC(=O)OC(C)(C)C)C(=O)COP(=O)(C1=CC=CC=C1)C2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3

DOS

IR

Vibrations