Geometry & MOs

Info

ID:	58849
PubChem CID:	24714963
Reduced:	SN3O3C14H19 (1)
Stoich.:	AB3C3D14E19 (1)
Weight, g/mol:	339.125277
ΔH_f, kcal/mol:	-118.66
Dipole, Da:	6.01
IP(EA), eV:	-8.99(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCNCC1=NC2=C(C(=C(S2)C(=O)OCC)C)C(=O)N1

DOS

IR

Vibrations