Geometry & MOs

Info

ID:	229599
PubChem CID:	87568121
Reduced:	BrFSiN4C12H16 (1)
Stoich.:	ABCD4E12F16 (1)
Weight, g/mol:	541.16584
ΔH_f, kcal/mol:	-3.9
Dipole, Da:	2.15
IP(EA), eV:	-9.92(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3Z)-3-[(1-acetyl-5-methylpyrazol-3-yl)methylidene]-4-sulfanylpiperidin-1-yl]-1-cyclopropyl-2-(2-fluorophenyl)ethanone;2,2,2-trifluoroacetic acid

Drug info:

PubChemData

Smile

C[Si](C)(C)C[C@@](C1=NC(=CC=C1)Br)(C2=NNN=C2)F

DOS

IR

Vibrations