Geometry & MOs

Info

ID:

1541

PubChem CID:

4666

Reduced:

NO14C47H51 (1)

Stoich.:

AB14C47D51 (1)

Weight, g/mol:

853.330955

ΔHf, kcal/mol:

-470.11

Dipole, Da:

12.69

IP(EA), eV:

 -9.69(-0.74)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[4,12-diacetyloxy-15-(3-benzamido-2-hydroxy-3-phenylpropanoyl)oxy-1,9-dihydroxy-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

CC1=C2C(C(=O)C3(C(CC4C(C3C(C(C2(C)C)(CC1OC(=O)C(C(C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C

DOS

IR

Vibrations