Geometry & MOs

Info

ID:

219522

PubChem CID:

85149085

Reduced:

O9H28C32 (1)

Stoich.:

A9B28C32 (1)

Weight, g/mol:

558.276358

ΔHf, kcal/mol:

-295.41

Dipole, Da:

5.56

IP(EA), eV:

 -8.67(-2.69)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

19-(azetidin-1-yl)-13-hydroxy-8,14-dimethoxy-4,10,12,16-tetramethyl-11-sulfanyl-2-azabicyclo[16.3.1]docosa-1(21),4,6,9,18-pentaene-3,20,22-trione

Drug info:

PubChemData

Smile

CC(=CCC1=C2C(=C(C3=C(C(=CC(=O)C3=C2O)C(CC=C(C)C)O)O)O)C4=C(C5=C(C(=O)C=CC5=O)C(=C14)O)O)C

DOS

IR

Vibrations