Geometry & MOs

Info

ID:	229260
PubChem CID:	87567283
Reduced:	SiZrCl2C28H36 (1)
Stoich.:	ABC2D28E36 (1)
Weight, g/mol:	385.162412
ΔH_f, kcal/mol:	7.95
Dipole, Da:	10.43
IP(EA), eV:	-6.87(-2.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-cyclopropyl-2-(2-fluorophenyl)-2-[(3Z)-3-[(1-methylpyrazol-3-yl)methylidene]-4-sulfanylpiperidin-1-yl]ethanone

Drug info:

PubChemData

Smile

CCCCC1=CC2=CC=CC=C2[CH-]1.CCCCC1=CC2=CC=CC=C2[CH-]1.C[Si](=[Zr+2])C.[Cl-].[Cl-]

DOS

IR

Vibrations