Geometry & MOs

Info

ID:	33975
PubChem CID:	7889096
Reduced:	SO2F3N5H12C16 (1)
Stoich.:	AB2C3D5E12F16 (1)
Weight, g/mol:	360.093249
ΔH_f, kcal/mol:	-115.04
Dipole, Da:	9.08
IP(EA), eV:	-9.18(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-3-phenacyl-6-phenylthieno[2,3-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

C1=CC2=NN=C(N2C=C1)SCC(=O)NCC(=O)NC3=C(C(=C(C=C3)F)F)F

DOS

IR

Vibrations