Geometry & MOs

Info

ID:

170273

PubChem CID:

75214655

Reduced:

NO7C22H27 (1)

Stoich.:

AB7C22D27 (1)

Weight, g/mol:

461.204967

ΔHf, kcal/mol:

-193.2

Dipole, Da:

5.07

IP(EA), eV:

 -9.9(-0.62)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1-methyl-17-oxo-7-propan-2-yl-3,6,10,16-tetraoxaheptacyclo[11.7.0.02,4.02,9.05,7.09,11.014,18]icos-14(18)-en-8-yl) 2-(2-hydroxyethylamino)acetate

Drug info:

PubChemData

Smile

CC(C)C12C(O1)C3C4(O3)C5(CCC6=C(C5CC7C4(C2OC(=O)CN)O7)COC6=O)C

DOS

IR

Vibrations