Geometry & MOs

Info

ID:	58727
PubChem CID:	24714783
Reduced:	SO2N3C16H21 (1)
Stoich.:	AB2C3D16E21 (1)
Weight, g/mol:	285.093583
ΔH_f, kcal/mol:	-45.18
Dipole, Da:	2.02
IP(EA), eV:	-8.63(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(ethylaminomethyl)-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CC(CN(CC1=NC2=C(C3=C(S2)CCC3)C(=O)N1)C4CC4)O

DOS

IR

Vibrations