Geometry & MOs

Info

ID:	346758
PubChem CID:	127271262
Reduced:	FN3O3C20H30 (1)
Stoich.:	AB3C3D20E30 (1)
Weight, g/mol:	387.12642
ΔH_f, kcal/mol:	-178.06
Dipole, Da:	4.02
IP(EA), eV:	-8.55(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-3-(1-methylsulfonylpiperidin-3-yl)urea

Drug info:

PubChemData

Smile

CC1CCCN(C1)C(C)(C)CNC(=O)NCC2=CC(=CC3=C2OCOC3)F

DOS

IR

Vibrations