Geometry & MOs

Info

ID:	347095
PubChem CID:	127271599
Reduced:	FN3O4C20H20 (1)
Stoich.:	AB3C4D20E20 (1)
Weight, g/mol:	373.11077
ΔH_f, kcal/mol:	-158.29
Dipole, Da:	3.3
IP(EA), eV:	-9.31(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-4-methylsulfonylpiperazine-1-carboxamide

Drug info:

PubChemData

Smile

C1CN(C(C(=O)N1)C2=CC=CC=C2)C(=O)NCC3=CC(=CC4=C3OCOC4)F

DOS

IR

Vibrations