Geometry & MOs

Info

ID:	346894
PubChem CID:	127271398
Reduced:	FSN2O5C16H21 (1)
Stoich.:	ABC2D5E16F21 (1)
Weight, g/mol:	350.164185
ΔH_f, kcal/mol:	-235.86
Dipole, Da:	7.78
IP(EA), eV:	-9.25(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methylamino]-2-oxoethyl]cyclohexanecarboxamide

Drug info:

PubChemData

Smile

CN(CC(=O)NCC1=CC(=CC2=C1OCOC2)F)C3CCS(=O)(=O)C3

DOS

IR

Vibrations