Geometry & MOs

Info

ID:

443453

PubChem CID:

135259077

Reduced:

O3N7C20H23 (1)

Stoich.:

A3B7C20D23 (1)

Weight, g/mol:

493.189609

ΔHf, kcal/mol:

-50.04

Dipole, Da:

2.21

IP(EA), eV:

 -8.74(-1.14)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-[[6-[(3R)-3-(dimethylamino)pyrrolidine-1-carbonyl]thieno[2,3-d]pyrimidin-4-yl]amino]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclobutane]-1,5-dione

Drug info:

PubChemData

Smile

CC1=C2C(=O)NC3(N2C(=O)C(=C1)NC4=NC(=NC=N4)NC(=O)C5CC5)CCCCC3

DOS

IR

Vibrations