Geometry & MOs

Info

ID:	352392
PubChem CID:	127283479
Reduced:	SO2N3C21H25 (1)
Stoich.:	AB2C3D21E25 (1)
Weight, g/mol:	358.121195
ΔH_f, kcal/mol:	-47.8
Dipole, Da:	4.79
IP(EA), eV:	-9.0(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-5-[2-oxo-2-[2-(1,3-thiazol-2-yl)piperidin-1-yl]ethyl]pyrazolo[3,4-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)N2CC(CC2=O)C(=O)N3CCCCC3C4=NC=CS4)C

DOS

IR

Vibrations