Geometry & MOs

Info

ID:	140910
PubChem CID:	52782570
Reduced:	FSN2O3H19C20 (1)
Stoich.:	ABC2D3E19F20 (1)
Weight, g/mol:	439.192963
ΔH_f, kcal/mol:	-39.99
Dipole, Da:	6.48
IP(EA), eV:	-9.66(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(2R)-oxolan-2-yl]methylsulfanyl]-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]benzamide

Drug info:

PubChemData

Smile

C=CCNS(=O)(=O)C1=CC=CC(=C1)C(=O)N(CC#C)CC2=CC=C(C=C2)F

DOS

IR

Vibrations