Geometry & MOs

Info

ID:	121926
PubChem CID:	50786619
Reduced:	ClFSO3N4H16C20 (1)
Stoich.:	ABCD3E4F16G20 (1)
Weight, g/mol:	488.126674
ΔH_f, kcal/mol:	-38.63
Dipole, Da:	5.01
IP(EA), eV:	-8.41(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-methoxy-5-methylphenyl)-2-[5-methyl-4-oxo-6-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)thieno[2,3-d]pyrimidin-3-yl]acetamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C2=NN3C(=C2)C(=O)NN=C3SCC4=C(C=CC=C4Cl)F)OC

DOS

IR

Vibrations