Geometry & MOs

Info

ID:	206513
PubChem CID:	80263113
Reduced:	ClFNSO4C13H17 (1)
Stoich.:	ABCDE4F13G17 (1)
Weight, g/mol:	292.066636
ΔH_f, kcal/mol:	-214.77
Dipole, Da:	7.72
IP(EA), eV:	-9.98(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[chloro-(2-fluoro-4-methylphenyl)methyl]-2,3-dihydro-1,4-benzodioxine

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1S(=O)(=O)Cl)C(=O)NCC(C)COC)F

DOS

IR

Vibrations