Geometry & MOs

Info

ID:	42129
PubChem CID:	8149220
Reduced:	SN3O4C16H22 (1)
Stoich.:	AB3C4D16E22 (1)
Weight, g/mol:	351.125277
ΔH_f, kcal/mol:	-139.74
Dipole, Da:	16.04
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.782774
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-methyl-2-[(1R)-1-morpholin-4-ylethyl]-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(C2=C(S1)N=C(NC2=O)[C@@H](C)[NH+]3CCOCC3)C

DOS

IR

Vibrations