Geometry & MOs

Info

ID:

297424

PubChem CID:

117617214

Reduced:

NC23H27 (1)

Stoich.:

AB23C27 (1)

Weight, g/mol:

606.226993

ΔHf, kcal/mol:

68.18

Dipole, Da:

1.88

IP(EA), eV:

 -9.01(-0.21)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[(3R,7R)-12-(5-chloropyridin-3-yl)-5-(1-fluorocyclopropanecarbonyl)-3,4'-dimethylspiro[2,5,10,13,17-pentazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),11,13,15-tetraene-8,1'-cyclohexane]-14-yl]-2H-1,2,4-oxadiazol-5-one

Drug info:

PubChemData

Smile

C/C=C\C=C/C=NCCCCCC1=CC=C(C=C1)C2=CC=CC=C2

DOS

IR

Vibrations