Geometry & MOs

Info

ID:

438839

PubChem CID:

135228597

Reduced:

O2N4C27H34 (1)

Stoich.:

A2B4C27D34 (1)

Weight, g/mol:

525.184604

ΔHf, kcal/mol:

-6.54

Dipole, Da:

8.31

IP(EA), eV:

 -7.65(-0.61)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-(5-fluoro-2-methoxyphenyl)ethyl]-5-methyl-3-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-6-pyrazol-1-ylthieno[2,3-d]pyrimidine-2,4-dione

Drug info:

PubChemData

Smile

CCCCN1C=NC(=N1)C2=C(C=C3C(=C2)CC(N4C3=CC(=C)C(=C4)C(=O)C)C(C)(C)C)OC

DOS

IR

Vibrations