Geometry & MOs

Info

ID:	58730
PubChem CID:	24714786
Reduced:	SO2N3C15H15 (1)
Stoich.:	AB2C3D15E15 (1)
Weight, g/mol:	295.099063
ΔH_f, kcal/mol:	-13.11
Dipole, Da:	3.86
IP(EA), eV:	-8.58(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CNCC1=NC2=C(C(=CS2)C3=CC=CC=C3OC)C(=O)N1

DOS

IR

Vibrations