Geometry & MOs

Info

ID:	135975
PubChem CID:	51961808
Reduced:	OSF3N5C23H26 (1)
Stoich.:	ABC3D5E23F26 (1)
Weight, g/mol:	364.12792
ΔH_f, kcal/mol:	-144.58
Dipole, Da:	1.74
IP(EA), eV:	-8.61(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(1,3-dithiolan-2-yl)-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]benzamide

Drug info:

PubChemData

Smile

CCCC1=NNC(=S)N1CC(=O)N[C@H]2CCCC3=C2C=C(N3C4=CC=CC(=C4)C(F)(F)F)C

DOS

IR

Vibrations