Geometry & MOs

Info

ID:	121933
PubChem CID:	50786702
Reduced:	FSO3N5H16C23 (1)
Stoich.:	ABC3D5E16F23 (1)
Weight, g/mol:	427.111439
ΔH_f, kcal/mol:	-16.97
Dipole, Da:	2.66
IP(EA), eV:	-9.13(-1.96)
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-propan-2-ylacetamide

Drug info:

PubChemData

Smile

CC1=C(SC2=C1C(=O)N(C=N2)CC(=O)NC3=CC=CC=C3)C4=NC(=NO4)C5=CC=C(C=C5)F

DOS

IR

Vibrations