Geometry & MOs

Info

ID:	121875
PubChem CID:	50784906
Reduced:	SO4N5C20H21 (1)
Stoich.:	AB4C5D20E21 (1)
Weight, g/mol:	397.157246
ΔH_f, kcal/mol:	-88.72
Dipole, Da:	5.51
IP(EA), eV:	-8.35(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCN(CC1)C2=NC3=C(S2)C(=O)N(C=N3)CC(=O)NC4=CC5=C(C=C4)OCCO5

DOS

IR

Vibrations