Geometry & MOs

Info

ID:	373846
PubChem CID:	131320612
Reduced:	SN2O4H6C8 (1)
Stoich.:	AB2C4D6E8 (1)
Weight, g/mol:	226.004828
ΔH_f, kcal/mol:	-111.64
Dipole, Da:	5.74
IP(EA), eV:	-9.64(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2,4-dioxo-1H-thieno[2,3-d]pyrimidine-6-carboxylate

Drug info:

PubChemData

Smile

C1=CSC2=NC(=C(N21)C(=O)O)CC(=O)O

DOS

IR

Vibrations