Geometry & MOs

Info

ID:

449222

PubChem CID:

135296952

Reduced:

ClF2O3N4H19C22 (1)

Stoich.:

AB2C3D4E19F22 (1)

Weight, g/mol:

473.195071

ΔHf, kcal/mol:

-141.92

Dipole, Da:

12.56

IP(EA), eV:

 -9.57(-1.72)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(6R)-9-[(3-cyano-1-bicyclo[1.1.1]pentanyl)methoxy]-10-(methoxymethyl)-15-oxospiro[1,2-diazatetracyclo[11.4.0.02,6.07,12]heptadeca-7(12),8,10,13,16-pentaene-3,1'-cyclopropane]-16-carboxylic acid

Drug info:

PubChemData

Smile

CC1(CC[C@H]2N1N3C=C(C(=O)C=C3C4=C2C=C(C(=C4)Cl)C5=CN(N=C5)C(F)F)C(=O)O)C

DOS

IR

Vibrations