Geometry & MOs

Info

ID:

443429

PubChem CID:

135258981

Reduced:

N2H21C32 (2)

Stoich.:

A2B21C32 (2)

Weight, g/mol:

412.168145

ΔHf, kcal/mol:

331.73

Dipole, Da:

1.48

IP(EA), eV:

 -8.47(-1.12)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

8-methyl-6-[(6-methylsulfanyl-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

C1C=CC=CC1C2=NC(=NC(=N2)C3=CC=CC(=C3)C4=CC(=CC(=C4)C5=CC=CC=C5)C6=CC=CC=C6)N7C8=CC=CC=C8C9=C7C1=C(C=C9)C2(C3=CC=CC=C3C3=CC=CC=C32)C2=CC=CC=C21

DOS

IR

Vibrations