Geometry & MOs

Info

ID:	123374
PubChem CID:	50844385
Reduced:	SO2N4C20H24 (1)
Stoich.:	AB2C4D20E24 (1)
Weight, g/mol:	414.152575
ΔH_f, kcal/mol:	-43.24
Dipole, Da:	2.67
IP(EA), eV:	-8.65(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-fluorophenyl)methyl]-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)NC3=CC(=CC(=C3)C)C)SC=C2

DOS

IR

Vibrations