Geometry & MOs

Info

ID:	58729
PubChem CID:	24714785
Reduced:	SO2N3C15H15 (1)
Stoich.:	AB2C3D15E15 (1)
Weight, g/mol:	301.088498
ΔH_f, kcal/mol:	-15.97
Dipole, Da:	5.73
IP(EA), eV:	-8.59(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2-methoxyphenyl)-2-(methylaminomethyl)-3H-thieno[2,3-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CNCC1=NC2=C(C(=CS2)C3=CC(=CC=C3)OC)C(=O)N1

DOS

IR

Vibrations