Geometry & MOs

Info

ID:

443467

PubChem CID:

135259131

Reduced:

SF3O4N6C21H23 (1)

Stoich.:

AB3C4D6E21F23 (1)

Weight, g/mol:

480.15553

ΔHf, kcal/mol:

-274.77

Dipole, Da:

6.21

IP(EA), eV:

 -8.9(-1.31)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

8-methyl-6-[[6-(2,2,2-trifluoroethylsulfanyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl]amino]spiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione

Drug info:

PubChemData

Smile

CC1=C2C(=O)NC3(N2C(=O)C(=C1)NC4=NC=NC5=C4CN(C5)S(=O)(=O)CC(F)(F)F)CCCCC3

DOS

IR

Vibrations