Geometry & MOs

Info

ID:	245266
PubChem CID:	99443233
Reduced:	NSF3O3C19H20 (1)
Stoich.:	ABC3D3E19F20 (1)
Weight, g/mol:	352.053608
ΔH_f, kcal/mol:	-264.37
Dipole, Da:	4.14
IP(EA), eV:	-9.43(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-8-[(3-methylphenyl)methylsulfonylmethyl]-4H-1,3-benzodioxine

Drug info:

PubChemData

Smile

CC(C)C1=CC=C(C=C1)CS(=O)(=O)CC(=O)NC2=CC=CC(=C2)C(F)(F)F

DOS

IR

Vibrations