Geometry & MOs

Info

ID:

443470

PubChem CID:

135259134

Reduced:

O4N7C24H27 (1)

Stoich.:

A4B7C24D27 (1)

Weight, g/mol:

495.205259

ΔHf, kcal/mol:

-117.4

Dipole, Da:

6.05

IP(EA), eV:

 -9.01(-1.38)

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'-cyclohexane]-6-yl)amino]thieno[2,3-d]pyrimidine-6-carboxamide

Drug info:

PubChemData

Smile

CC1=C2C(=O)NC3(N2C(=O)C(=C1)NC4=NC=NC5=C4CN(C5)C(=O)[C@@H]6CCC(=O)N6)CCCCC3

DOS

IR

Vibrations