Geometry & MOs

Info

ID:	38304
PubChem CID:	8029722
Reduced:	O2N3H19C24 (1)
Stoich.:	A2B3C19D24 (1)
Weight, g/mol:	392.151826
ΔH_f, kcal/mol:	35.27
Dipole, Da:	4.71
IP(EA), eV:	-8.19(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2,4-dioxo-3-(2-oxo-2-piperidin-1-ylethyl)thieno[3,2-d]pyrimidin-1-yl]-N-propan-2-ylacetamide

Drug info:

PubChemData

Smile

CN1C2=CC=CC=C2C3=C(C1=O)C(=C(O3)NCC4=CC=CC=C4)C5=CN=CC=C5

DOS

IR

Vibrations