Geometry & MOs

Info

ID:

448324

PubChem CID:

135290136

Reduced:

N2F3O5H23C26 (1)

Stoich.:

A2B3C5D23E26 (1)

Weight, g/mol:

470.205301

ΔHf, kcal/mol:

-290.1

Dipole, Da:

14.39

IP(EA), eV:

 -9.57(-1.56)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(7S)-11-(methoxymethyl)-10-(3-methoxypropoxy)-16-oxospiro[5-oxa-1,2-diazatetracyclo[12.4.0.02,7.08,13]octadeca-8(13),9,11,14,17-pentaene-3,1'-cyclobutane]-17-carboxylic acid

Drug info:

PubChemData

Smile

CC1(CC[C@H]2N1N3C=C(C(=O)C=C3C4=CC(=C(C=C24)OCC5=CC=CC=C5)OC(F)(F)F)C(=O)O)C

DOS

IR

Vibrations