Geometry & MOs

Info

ID:

226367

PubChem CID:

87350918

Reduced:

SO4C22H40 (1)

Stoich.:

AB4C22D40 (1)

Weight, g/mol:

658.419317

ΔHf, kcal/mol:

-215.17

Dipole, Da:

5.2

IP(EA), eV:

 -8.9(-0.32)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1S,5S,6R,7R,10R,11R,14R,15R,20R,21R)-20-acetyloxy-21-(2,5-diaminopentanoyloxy)-5,7,10,15-tetramethyl-7-[(2R)-3-methylbutan-2-yl]-4-oxo-17-oxapentacyclo[13.3.3.01,14.02,11.05,10]henicos-2-ene-6-carboxylic acid

Drug info:

PubChemData

Smile

CCCCCCCCCCCCS.CC(=C)C(=O)OCCOC(=O)C(=C)C

DOS

IR

Vibrations