Geometry & MOs

Info

ID:	191954
PubChem CID:	78208059
Reduced:	OSCl2N2H8C9 (1)
Stoich.:	ABC2D2E8F9 (1)
Weight, g/mol:	240.039105
ΔH_f, kcal/mol:	6.35
Dipole, Da:	4.7
IP(EA), eV:	-9.57(-1.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-ethyl-2-ethylsulfanyl-4aH-thieno[2,3-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CCC1=CC2C(=NC(=NC2=O)C(Cl)Cl)S1

DOS

IR

Vibrations