Geometry & MOs

Info

ID:	121932
PubChem CID:	50786695
Reduced:	FSO2N4H11C16 (1)
Stoich.:	ABC2D4E11F16 (1)
Weight, g/mol:	461.095789
ΔH_f, kcal/mol:	16.74
Dipole, Da:	3.12
IP(EA), eV:	-8.98(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[6-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-5-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl]-N-phenylacetamide

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)CSC2=NNC(=O)C3=CC(=NN32)C4=CC=CO4)F

DOS

IR

Vibrations