Geometry & MOs

Info

ID:	123375
PubChem CID:	50844639
Reduced:	FSO2N4C21H23 (1)
Stoich.:	ABC2D4E21F23 (1)
Weight, g/mol:	426.183795
ΔH_f, kcal/mol:	-78.8
Dipole, Da:	3.69
IP(EA), eV:	-8.69(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(diethylamino)-3-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]thieno[3,2-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

C1CCN(CC1)C2=NC3=C(C(=O)N2CCC(=O)NCC4=CC=C(C=C4)F)SC=C3

DOS

IR

Vibrations