Geometry & MOs

Info

ID:	204923
PubChem CID:	80032762
Reduced:	OS2N3C10H17 (1)
Stoich.:	AB2C3D10E17 (1)
Weight, g/mol:	317.968434
ΔH_f, kcal/mol:	-10.76
Dipole, Da:	6.23
IP(EA), eV:	-8.72(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3-dichloro-2-[(3-fluorophenyl)sulfonylmethyl]benzene

Drug info:

PubChemData

Smile

CC1=NC(=NN1)SCC2(CCOCC2)CS

DOS

IR

Vibrations