Geometry & MOs

Info

ID:	121876
PubChem CID:	50784907
Reduced:	SO2N5C20H23 (1)
Stoich.:	AB2C5D20E23 (1)
Weight, g/mol:	429.147075
ΔH_f, kcal/mol:	-30.08
Dipole, Da:	5.75
IP(EA), eV:	-8.79(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,4-dimethoxyphenyl)-2-(7-oxo-2-piperidin-1-yl-[1,3]thiazolo[4,5-d]pyrimidin-6-yl)acetamide

Drug info:

PubChemData

Smile

CCC1=CC(=CC=C1)NC(=O)CN2C=NC3=C(C2=O)SC(=N3)N4CCCCC4

DOS

IR

Vibrations