Geometry & MOs

Info

ID:

168662

PubChem CID:

74999979

Reduced:

Cl2N3O9H31C32 (1)

Stoich.:

A2B3C9D31E32 (1)

Weight, g/mol:

921.35717

ΔHf, kcal/mol:

-331.94

Dipole, Da:

9.09

IP(EA), eV:

 -9.59(-1.46)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[4,12-diacetyloxy-15-(3-benzamido-2-hydroxy-3-phenylpropanoyl)oxy-9-but-2-enoyloxy-1-hydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate

Drug info:

PubChemData

Smile

CC(C(=O)NC(CC(=O)O)C(=O)COC(=O)C1=C(C=CC=C1Cl)Cl)NC(=O)C(CC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3

DOS

IR

Vibrations