Geometry & MOs

Info

ID:	438718
PubChem CID:	135228469
Reduced:	OSN5C13H17 (1)
Stoich.:	ABC5D13E17 (1)
Weight, g/mol:	539.200254
ΔH_f, kcal/mol:	41.03
Dipole, Da:	7.39
IP(EA), eV:	-9.02(-0.83)
Spin(S_z, 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-pyrrolidin-1-ylpropan-2-yl)-6-pyrazol-1-ylthieno[2,3-d]pyrimidine-2,4-dione

Drug info:

PubChemData

Smile

CCSC1=C(C=CC(=C1C)C(=O)NC2=NN=NN2C)C

DOS

IR

Vibrations