Geometry & MOs

Info

ID:	342709
PubChem CID:	127265869
Reduced:	ClFN2O3H10C17 (1)
Stoich.:	ABC2D3E10F17 (1)
Weight, g/mol:	339.067762
ΔH_f, kcal/mol:	-72.8
Dipole, Da:	3.23
IP(EA), eV:	-8.94(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[2-(4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)prop-1-enyl]-4H-1,4-benzoxazin-3-one

Drug info:

PubChemData

Smile

C1C(=O)NC2=C(O1)C=CC(=C2)C=C(C3=NC4=C(O3)C=CC(=C4)F)Cl

DOS

IR

Vibrations