Geometry & MOs

Info

ID:

443504

PubChem CID:

135259209

Reduced:

O3N7C21H25 (1)

Stoich.:

A3B7C21D25 (1)

Weight, g/mol:

498.143879

ΔHf, kcal/mol:

-67.43

Dipole, Da:

1.74

IP(EA), eV:

 -8.61(-1.21)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1'-hydroxy-8-methyl-1'-(1,1,2,2,2-pentafluoroethyl)-6-(7H-pyrrolo[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=C5C(=NC=N4)N(C=N5)CC(C)O)CCCCC3

DOS

IR

Vibrations