Geometry & MOs

Info

ID:

443554

PubChem CID:

135259307

Reduced:

FO2N9C35H36 (1)

Stoich.:

AB2C9D35E36 (1)

Weight, g/mol:

425.115775

ΔHf, kcal/mol:

46.02

Dipole, Da:

2.09

IP(EA), eV:

 -8.56(-0.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 4-[(8-methyl-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclopentane]-6-yl)amino]thieno[2,3-d]pyrimidine-6-carboxylate

Drug info:

PubChemData

Smile

CCN(C1=CC2=C(C=C1)NN=C2C3=C(C=NC=C3)F)C(=O)[C@@H]4CCN(C4)CC(=O)N5CCC(=CC5)C6=CC=C(C=C6)C7=NN(C=N7)C

DOS

IR

Vibrations