Geometry & MOs

Info

ID:

443466

PubChem CID:

135259129

Reduced:

SO3N7C22H23 (1)

Stoich.:

AB3C7D22E23 (1)

Weight, g/mol:

512.145359

ΔHf, kcal/mol:

-33.02

Dipole, Da:

6.21

IP(EA), eV:

 -8.88(-1.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

8-methyl-6-[[6-(2,2,2-trifluoroethylsulfonyl)-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=C5C=C(SC5=NC=N4)C(=O)N6CC(C6)N)CCCC3

DOS

IR

Vibrations