Geometry & MOs

Info

ID:

168663

PubChem CID:

74999980

Reduced:

NO15C51H55 (1)

Stoich.:

AB15C51D55 (1)

Weight, g/mol:

937.38847

ΔHf, kcal/mol:

-502.3

Dipole, Da:

9.78

IP(EA), eV:

 -9.74(-0.88)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[4,12-diacetyloxy-15-(3-benzamido-2-hydroxy-3-phenylpropanoyl)oxy-9-(2,2-dimethylpropanoyloxy)-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=CC(=O)OC1CC2C(CO2)(C3C1(C(=O)C(C4=C(C(CC(C3OC(=O)C5=CC=CC=C5)(C4(C)C)O)OC(=O)C(C(C6=CC=CC=C6)NC(=O)C7=CC=CC=C7)O)C)OC(=O)C)C)OC(=O)C

DOS

IR

Vibrations