Geometry & MOs

Info

ID:	229034
PubChem CID:	87566817
Reduced:	FSO2N3C22H24 (1)
Stoich.:	ABC2D3E22F24 (1)
Weight, g/mol:	478.160553
ΔH_f, kcal/mol:	-44.03
Dipole, Da:	4.3
IP(EA), eV:	-8.99(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-[(Z)-[1-[2-cyclopropyl-1-(2-fluorophenyl)-2-oxoethyl]-4-sulfanylpiperidin-3-ylidene]methyl]pyrazol-1-yl]-N-methylacetamide;hydrochloride

Drug info:

PubChemData

Smile

CC(=O)SC\1CCN(C/C1=C\C2=NC=CN2)C(C3=CC=CC=C3F)C(=O)C4CC4

DOS

IR

Vibrations