Geometry & MOs

Info

ID:	58731
PubChem CID:	24714787
Reduced:	SN3O3C13H17 (1)
Stoich.:	AB3C3D13E17 (1)
Weight, g/mol:	339.125277
ΔH_f, kcal/mol:	-113.6
Dipole, Da:	6.49
IP(EA), eV:	-8.99(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methoxyethyl 5-methyl-4-oxo-2-(propylaminomethyl)-3H-thieno[2,3-d]pyrimidine-6-carboxylate

Drug info:

PubChemData

Smile

CCNCC1=NC2=C(C(=C(S2)C(=O)OCC)C)C(=O)N1

DOS

IR

Vibrations