Geometry & MOs

Info

ID:

443535

PubChem CID:

135259276

Reduced:

O3F4N5H19C22 (1)

Stoich.:

A3B4C5D19E22 (1)

Weight, g/mol:

515.105051

ΔHf, kcal/mol:

-269.36

Dipole, Da:

2.8

IP(EA), eV:

 -9.07(-1.67)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1'-hydroxy-8-methyl-1'-(1,1,2,2,2-pentafluoroethyl)-6-(thieno[2,3-d]pyrimidin-4-ylamino)spiro[2H-imidazo[1,5-a]pyridine-3,4'-cyclohexane]-1,5-dione

Drug info:

PubChemData

Smile

CC1=C2C(=O)NC3(N2C(=O)C(=C1)NC4=NC=NC5=C4C=C(C=C5)F)CCC(CC3)(C(F)(F)F)O

DOS

IR

Vibrations