Geometry & MOs

Info

ID:	121909
PubChem CID:	50786332
Reduced:	ClFOSN6H16C22 (1)
Stoich.:	ABCDE6F16G22 (1)
Weight, g/mol:	485.152161
ΔH_f, kcal/mol:	64.89
Dipole, Da:	2.51
IP(EA), eV:	-8.84(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=NN3C=CN4C(=NN=C4SCC(=O)NC5=C(C=C(C=C5)F)Cl)C3=C2

DOS

IR

Vibrations