Geometry & MOs

Info

ID:	123376
PubChem CID:	50844672
Reduced:	SO2N6C21H26 (1)
Stoich.:	AB2C6D21E26 (1)
Weight, g/mol:	396.161997
ΔH_f, kcal/mol:	-5.57
Dipole, Da:	2.76
IP(EA), eV:	-8.52(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-methylphenyl)-3-(4-oxo-2-piperidin-1-ylthieno[3,2-d]pyrimidin-3-yl)propanamide

Drug info:

PubChemData

Smile

CCN(CC)C1=NC2=C(C(=O)N1CC(=O)N3CCN(CC3)C4=CC=CC=N4)SC=C2

DOS

IR

Vibrations