Geometry & MOs

Info

ID:

443548

PubChem CID:

135259292

Reduced:

O4N7C22H27 (1)

Stoich.:

A4B7C22D27 (1)

Weight, g/mol:

481.189609

ΔHf, kcal/mol:

-111.53

Dipole, Da:

4.51

IP(EA), eV:

 -8.56(-1.14)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(CN1C=NC2=C(N=CN=C21)NC3=CC(=C4C(=O)NC5(N4C3=O)CCCCC5)C)O

DOS

IR

Vibrations