Geometry & MOs

Info

ID:

180799

PubChem CID:

76687578

Reduced:

NSO7C43H65 (1)

Stoich.:

ABC7D43E65 (1)

Weight, g/mol:

875.37282

ΔHf, kcal/mol:

-352.65

Dipole, Da:

8.18

IP(EA), eV:

 -8.94(-0.18)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[4-acetyloxy-1,9-dihydroxy-15-[2-hydroxy-3-(2-methylbut-2-enoylamino)-3-phenylpropanoyl]oxy-10,14,17,17-tetramethyl-11-oxo-12-propanoyloxy-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] 3-methoxybenzoate

Drug info:

PubChemData

Smile

CC1=CCCC(=CCC2(C(CC=C(C(CC1)O)C)C(=C(C2=O)O)C(C)COC(=O)CCCCCCC(=O)CCCCC3C4CC(=O)NC4CS3)C)C

DOS

IR

Vibrations