Geometry & MOs

Info

ID:	229118
PubChem CID:	87566997
Reduced:	FSSiO4N5C31H44 (1)
Stoich.:	ABCD4E5F31G44 (1)
Weight, g/mol:	348.028868
ΔH_f, kcal/mol:	-135.47
Dipole, Da:	9.61
IP(EA), eV:	-8.67(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(5-chloropyrazin-2-yl)-1-[4-fluoro-3-(trifluoromethoxy)phenyl]propan-1-one

Drug info:

PubChemData

Smile

CC(=O)SC\1CCN(C/C1=C\C2=CN=NN2CCCC(=O)NO[Si](C)(C)C(C)(C)C)C(C3=CC=CC=C3F)C(=O)C4CC4

DOS

IR

Vibrations