Geometry & MOs

Info

ID:	438814
PubChem CID:	135228571
Reduced:	FSN2O3C20H23 (1)
Stoich.:	ABC2D3E20F23 (1)
Weight, g/mol:	535.225326
ΔH_f, kcal/mol:	-106.21
Dipole, Da:	2.02
IP(EA), eV:	-8.68(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(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

C1[C@H](NC(CS1)C2=CC=C(C=C2)F)COCNCC3=CC4=C(C=C3)OCO4

DOS

IR

Vibrations