Geometry & MOs

Info

ID:

58974

PubChem CID:

24770031

Reduced:

O3C10H10 (2)

Stoich.:

A3B10C10 (2)

Weight, g/mol:

658.325416

ΔHf, kcal/mol:

-225.43

Dipole, Da:

3.97

IP(EA), eV:

 -9.3(-0.89)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1R,9S,10S)-3-hydroxy-6-[(1R,9S,10S,12S)-3-hydroxy-4,12-dimethoxy-17-methyl-13-oxo-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-6-yl]-4,12-dimethoxy-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5,11-tetraen-13-one

Drug info:

PubChemData

Smile

CC1=C2C(=O)C3=C(C=CC(=C3CC2(CCC1=O)C)OC(=O)C)OC(=O)C

DOS

IR

Vibrations