Geometry & MOs

Info

ID:	167765
PubChem CID:	74871575
Reduced:	SN3O3C10H11 (1)
Stoich.:	AB3C3D10E11 (1)
Weight, g/mol:	267.031377
ΔH_f, kcal/mol:	-48.37
Dipole, Da:	12.57
IP(EA), eV:	-8.81(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5-methyl-4-oxo-4aH-thieno[2,3-d]pyrimidine-6-carbonyl)amino]acetic acid

Drug info:

PubChemData

Smile

CN(C)C1=NC(=C(S1)C=C(C#N)C(=O)O)OC

DOS

IR

Vibrations