Geometry & MOs

Info

ID:	136801
PubChem CID:	52102557
Reduced:	SN4O4C24H28 (1)
Stoich.:	AB4C4D24E28 (1)
Weight, g/mol:	399.19582
ΔH_f, kcal/mol:	-138.91
Dipole, Da:	11.12
IP(EA), eV:	-8.67(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-(1,3-benzodioxol-5-ylmethyl)-2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]propanamide

Drug info:

PubChemData

Smile

CCCCNC(=O)NS(=O)(=O)C1=CC=C(C=C1)NC(=O)C2=CC3=C(C=C2)NC4=C3CCCC4

DOS

IR

Vibrations