Geometry & MOs

Info

ID:	58867
PubChem CID:	24714998
Reduced:	SN3O3C15H21 (1)
Stoich.:	AB3C3D15E21 (1)
Weight, g/mol:	339.125277
ΔH_f, kcal/mol:	-115.75
Dipole, Da:	5.27
IP(EA), eV:	-9.02(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=C(SC2=C1C(=O)NC(=N2)CN(CC)CC)C(=O)OC

DOS

IR

Vibrations