Geometry & MOs

Info

ID:	191955
PubChem CID:	78208060
Reduced:	ON2S2C10H12 (1)
Stoich.:	AB2C2D10E12 (1)
Weight, g/mol:	237.057198
ΔH_f, kcal/mol:	9.5
Dipole, Da:	5.67
IP(EA), eV:	-9.24(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(6-ethyl-4-oxo-4aH-thieno[2,3-d]pyrimidin-2-yl)acetamide

Drug info:

PubChemData

Smile

CCC1=CC2C(=NC(=NC2=O)SCC)S1

DOS

IR

Vibrations