Geometry & MOs

Info

ID:

180639

PubChem CID:

76663669

Reduced:

NO6C36H59 (1)

Stoich.:

AB6C36D59 (1)

Weight, g/mol:

650.402998

ΔHf, kcal/mol:

-320.85

Dipole, Da:

5.94

IP(EA), eV:

 -9.36(0.78)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

20-hydroxy-5,7,10,15-tetramethyl-7-(3-methylbutan-2-yl)-21-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-17-oxapentacyclo[13.3.3.01,14.02,11.05,10]henicos-2-ene-6-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)C(C)C1(CCC2(C3CCC4C5(COCC4(C3=CCC2(C1C(=O)O)C)CC(C5OCCCCN)OC(=O)C)C)C)C

DOS

IR

Vibrations