Geometry & MOs

Info

ID:

125230

PubChem CID:

50915982

Reduced:

FON2C23H31 (1)

Stoich.:

ABC2D23E31 (1)

Weight, g/mol:

596.234493

ΔHf, kcal/mol:

-57.78

Dipole, Da:

6.87

IP(EA), eV:

 -8.32(-0.13)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl (1S,3S,7R,9R)-3-[1-(4-methylphenyl)sulfonylindol-3-yl]-15-propan-2-yl-8-oxa-2-azatetracyclo[7.7.0.02,7.011,16]hexadeca-4,11(16),12,14-tetraene-5-carboxylate

Drug info:

PubChemData

Smile

CC(=CCC/C(=C/CN1C=C(C2=C1C=CC(=C2)F)CN3CCOCC3)/C)C

DOS

IR

Vibrations