Geometry & MOs

Info

ID:

438834

PubChem CID:

135228591

Reduced:

SN4O5C23H24 (1)

Stoich.:

AB4C5D23E24 (1)

Weight, g/mol:

553.215904

ΔHf, kcal/mol:

-130.77

Dipole, Da:

5.98

IP(EA), eV:

 -8.98(-1.25)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(SC2=C1C(=O)N(C(=O)N2CCC3=CC=CC=C3OC)C(C)(C)C(=O)O)N4C=CC=N4

DOS

IR

Vibrations