Geometry & MOs

Info

ID:

443473

PubChem CID:

135259137

Reduced:

ClO2N5H20C21 (1)

Stoich.:

AB2C5D20E21 (1)

Weight, g/mol:

543.206402

ΔHf, kcal/mol:

-30.66

Dipole, Da:

4.36

IP(EA), eV:

 -8.85(-1.45)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-(dimethylamino)ethyl]-4-[[1'-(fluoromethyl)-1'-hydroxy-8-methyl-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,4'-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=C4C=CC(=C5)Cl)CCCCC3

DOS

IR

Vibrations