Geometry & MOs

Info

ID:	20921
PubChem CID:	586308
Reduced:	ClFSO2H12C15 (1)
Stoich.:	ABCD2E12F15 (1)
Weight, g/mol:	310.023057
ΔH_f, kcal/mol:	-89.85
Dipole, Da:	1.67
IP(EA), eV:	-8.84(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-[(4-chlorophenyl)sulfanylmethyl]-6-fluoro-4H-1,3-benzodioxine

Drug info:

PubChemData

Smile

C1C2=C(C(=CC(=C2)F)CSC3=CC=C(C=C3)Cl)OCO1

DOS

IR

Vibrations