Geometry & MOs

Info

ID:

443469

PubChem CID:

135259133

Reduced:

O4N7C24H27 (1)

Stoich.:

A4B7C24D27 (1)

Weight, g/mol:

477.212452

ΔHf, kcal/mol:

-117.56

Dipole, Da:

5.23

IP(EA), eV:

 -8.97(-1.39)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

8-methyl-6-[[6-[(2S)-5-oxopyrrolidine-2-carbonyl]-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)C(=O)C6CCC(=O)N6)CCCCC3

DOS

IR

Vibrations