Geometry & MOs

Info

ID:

181513

PubChem CID:

76754850

Reduced:

NSiO12C52H65 (1)

Stoich.:

ABC12D52E65 (1)

Weight, g/mol:

1023.443647

ΔHf, kcal/mol:

-458.59

Dipole, Da:

10.92

IP(EA), eV:

 -9.12(-0.8)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[[4-acetyloxy-15-[3-benzamido-2-[tert-butyl(dimethyl)silyl]oxy-3-phenylpropanoyl]oxy-2-benzoyloxy-1-hydroxy-10,12,14,17,17-pentamethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-9-yl]oxy]-4-oxobutanoic acid

Drug info:

PubChemData

Smile

CC1C2=C(C(CC(C2(C)C)(C(C3C(C1=O)(C(CC4C3(CO4)OC(=O)C)O)C)OC(=O)C5=CC=CC=C5)O)OC(=O)C(C(C6=CC=CC=C6)NC(=O)C7=CC=CC=C7)O[Si](C)(C)C(C)(C)C)C

DOS

IR

Vibrations